1,3-Diphenylisobenzofuran
C20H14O
5471-63-6 Copyright (C) 2025 ACS
 21 24  0  0  0  0  0  0  0  0999 V2000
    6.4384    3.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6684    2.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4080    5.0872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1620    2.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1443    1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1316    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1139    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075    0.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9700    4.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5965    5.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8752    2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1280    5.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4067    3.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0332    4.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    5.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    4.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    6.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    7.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 16  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <cas.rn>
5471-63-6

> <cas.index.name>
Isobenzofuran, 1,3-diphenyl-

> <molecular.formula>
C20H14O

> <molecular.weight>
270.33

> <melting.point.experimental>
127-128 °C    Solvent: Ethyl acetate

> <boiling.point.predicted>
437.480±14.00 °C    Press: 760.00 Torr

> <density.predicted>
1.141±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
