Benzocyclooctene, 6-methyl-7,8,9-triphenyl-

SpectraBase Compound ID	AjvgSP8GdDa
InChI	InChI=1S/C31H24/c1-23-21-27-19-11-12-20-28(27)22-29(24-13-5-2-6-14-24)31(26-17-9-4-10-18-26)30(23)25-15-7-3-8-16-25/h2-22H,1H3/b23-21-,27-21-,28-22-,29-22-,30-23-,31-29+,31-30+
InChIKey	YWYKAZOQCVQCOO-LSNHUKDOSA-N Google Search
Mol Weight	396.53 g/mol
Molecular Formula	C31H24
Exact Mass	396.187801 g/mol

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SpectraBase Spectrum ID	BJ1jYPBU10T
Name	Benzocyclooctene, 6-methyl-7,8,9-triphenyl-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	396.187800773 u
Formula	C31H24
InChI	InChI=1S/C31H24/c1-23-21-27-19-11-12-20-28(27)22-29(24-13-5-2-6-14-24)31(26-17-9-4-10-18-26)30(23)25-15-7-3-8-16-25/h2-22H,1H3/b23-21-,27-21-,28-22-,29-22-,30-23-,31-29+,31-30+
InChIKey	YWYKAZOQCVQCOO-LSNHUKDOSA-N
Molecular Weight	396.533 g/mol
SMILES	C1=2\C=C/(\C(=C/(\C(=C/C1=CC=CC2)C)C1=CC=CC=C1)C=1C=CC=CC1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.975045