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1,3,5-Cycloheptatriene, 7,7-dimethyl-2,3,4,5-tetraphenyl-
SpectraBase Compound ID F2v569qkjn0
InChI InChI=1S/C33H28/c1-33(2)23-29(25-15-7-3-8-16-25)31(27-19-11-5-12-20-27)32(28-21-13-6-14-22-28)30(24-33)26-17-9-4-10-18-26/h3-24H,1-2H3
InChIKey CZTZQISQAPVROO-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C33H28
Exact Mass 424.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wJsKAUnt35
Name 1,3,5-CYCLOHEPTATRIENE, 7,7-DIMETHYL-2,3,4,5-TETRAPHENYL-
Comments CYCLOHEPTATRIENE-NORCARADIENE EQULIBRIUM, VALENCE ISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H28
InChI InChI=1S/C33H28/c1-33(2)23-29(25-15-7-3-8-16-25)31(27-19-11-5-12-20-27)32(28-21-13-6-14-22-28)30(24-33)26-17-9-4-10-18-26/h3-24H,1-2H3
InChIKey CZTZQISQAPVROO-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 424.2184
SMILES C=1C(C)(C)C=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C1c1ccccc1
SPLASH splash10-00yi-3449500000-c76e4ee4fd78167a9193
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany