
C73H105F5N12O12
2676177-63-0 Copyright (C) 2025 ACS
105111  0  0  1  0  0  0  0  0999 V2000
    8.4700    1.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8601    2.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    6.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7101    6.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    5.1048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    7.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9401    7.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7101    9.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    9.1058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8601   10.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600   10.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   11.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   13.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   14.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8601   13.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600   13.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3301   11.7732    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   22.3301    6.4385    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.7101   14.4405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8701    9.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8701   10.6458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   25.4101    9.1058    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   23.8701    7.5658    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.1701   17.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8874   17.2909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7077   18.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3345   17.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9751   19.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0901   14.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5501   14.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300   14.4405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8601   18.4416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600   18.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400   15.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700   19.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3301   17.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7801    2.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    2.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5501    3.7710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1537    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3116    2.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    3.7710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0901    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6318    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    3.7710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8601    5.1048    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1600    5.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4001    5.1048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3842    3.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.1048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1701    6.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8759    3.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6301    2.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    6.4385    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.4001    7.7721    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6200    7.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1701    9.1058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    9.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4001   10.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   10.4396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1701   11.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   11.7732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4001   13.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   13.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1701   14.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   14.4405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4001   15.7743    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6200   15.7743    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8601   15.7743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600   15.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0901   17.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300   17.1079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5501   17.1079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4700   17.1079    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7801   18.4416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8837   17.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400   18.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1137   19.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    2.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6285    2.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7864    1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6420    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2501    9.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0201   10.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0201    7.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5601   10.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5601    7.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3301    9.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7101   17.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4801   18.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4801   15.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0201   18.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0201   15.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7901   17.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0901    6.4385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1729   16.3010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7801   15.7743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 44  2  0  0  0  0
  2 48  1  0  0  0  0
  3 49  2  0  0  0  0
  4 54  2  0  0  0  0
  5 57  1  0  0  0  0
  6 58  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 61  7  1  6  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 62  1  0  0  0  0
 13 91  1  0  0  0  0
 14 65  2  0  0  0  0
 15 66  2  0  0  0  0
 16 67  1  0  0  0  0
 17 18  1  0  0  0  0
 69 17  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 70  1  0  0  0  0
 22 71  2  0  0  0  0
 23 94  1  0  0  0  0
 24 95  1  0  0  0  0
 25 72  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 96  1  0  0  0  0
 74 30  1  1  0  0  0
 30 97  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  6  0  0  0
 31 75  1  0  0  0  0
 32 34  1  0  0  0  0
 35 36  1  0  0  0  0
 35 76  1  0  0  0  0
 37 77  2  0  0  0  0
 38 78  2  0  0  0  0
 39 79  1  0  0  0  0
 81 40  1  6  0  0  0
 41 84  2  0  0  0  0
 42102  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 43 46  1  0  0  0  0
 43 47  1  0  0  0  0
 44 48  1  0  0  0  0
 45 49  1  0  0  0  0
 46 50  1  0  0  0  0
 47 51  1  0  0  0  0
 48 52  1  0  0  0  0
 49 53  1  0  0  0  0
 50 51  1  0  0  0  0
 52 54  1  0  0  0  0
 52 86  1  1  0  0  0
 53 55  1  0  0  0  0
 53 56  1  6  0  0  0
 53103  1  0  0  0  0
 54 57  1  0  0  0  0
 55 58  1  0  0  0  0
 55 59  1  0  0  0  0
 56 60  1  0  0  0  0
 57 61  1  0  0  0  0
 58 62  1  0  0  0  0
 59 60  1  0  0  0  0
 61 63  1  0  0  0  0
 62 64  1  1  0  0  0
 63 65  1  0  0  0  0
 64 66  1  0  0  0  0
 65 67  1  0  0  0  0
 66 68  1  0  0  0  0
 67 69  1  0  0  0  0
 68 70  1  0  0  0  0
 69 71  1  0  0  0  0
 70 72  1  0  0  0  0
 71 73  1  0  0  0  0
 72 74  1  0  0  0  0
 73 75  1  0  0  0  0
 74 76  1  0  0  0  0
 75 77  1  0  0  0  0
 75104  1  6  0  0  0
 76 78  1  0  0  0  0
 77 79  1  0  0  0  0
 78 80  1  0  0  0  0
 79 81  1  0  0  0  0
 80 82  1  0  0  0  0
 80 83  1  6  0  0  0
 80105  1  0  0  0  0
 81 84  1  0  0  0  0
 82 84  1  0  0  0  0
 82 85  1  0  0  0  0
 83 85  1  0  0  0  0
 86 87  1  0  0  0  0
 86 88  1  0  0  0  0
 87 89  1  0  0  0  0
 88 90  1  0  0  0  0
 89 90  1  0  0  0  0
 91 92  2  0  0  0  0
 91 93  1  0  0  0  0
 92 94  1  0  0  0  0
 93 95  2  0  0  0  0
 94 96  2  0  0  0  0
 95 96  1  0  0  0  0
 97 98  2  0  0  0  0
 97 99  1  0  0  0  0
 98100  1  0  0  0  0
 99101  2  0  0  0  0
100102  2  0  0  0  0
101102  1  0  0  0  0
M  END
> <cas.rn>
2676177-63-0

> <cas.index.name>
Not Yet Assigned

> <molecular.formula>
C73H105F5N12O12

> <molecular.weight>
1437.68

> <boiling.point.predicted>
1413.576±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.304±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.236±0.70    Most Acidic Temp: 25 °C

$$$$
