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7,8-Didehydro-5,6,9,10-tetrahydro-1,2,3,4-tetraphenylbenzocyclooctene
SpectraBase Compound ID 2JdNKiSId1j
InChI InChI=1S/C36H28/c1-2-16-26-32-31(25-15-1)33(27-17-7-3-8-18-27)35(29-21-11-5-12-22-29)36(30-23-13-6-14-24-30)34(32)28-19-9-4-10-20-28/h3-14,17-24H,15-16,25-26H2
InChIKey PVPBIDCVKZCSTL-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C36H28
Exact Mass 460.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CR83piKPQvD
Name 7,8-Didehydro-5,6,9,10-tetrahydro-1,2,3,4-tetraphenylbenzocyclooctene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H28
InChI InChI=1S/C36H28/c1-2-16-26-32-31(25-15-1)33(27-17-7-3-8-18-27)35(29-21-11-5-12-22-29)36(30-23-13-6-14-24-30)34(32)28-19-9-4-10-20-28/h3-14,17-24H,15-16,25-26H2
InChIKey PVPBIDCVKZCSTL-UHFFFAOYSA-N
Molecular Weight 460.620 g/mol
SMILES c1(c(c(-c2ccccc2)c(c2c1CCC#CCC2)-c1ccccc1)-c1ccccc1)-c1ccccc1
SPLASH splash10-01q9-0101900000-847f599292a2d9c50f99
Source of Spectrum K-127-1532-13
Wiley ID 1390719