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Benzocyclooctene, 7-methyl-6,8,9-triphenyl-
SpectraBase Compound ID IIqBFIjikIm
InChI InChI=1S/C31H24/c1-23-29(24-13-5-2-6-14-24)21-27-19-11-12-20-28(27)22-30(25-15-7-3-8-16-25)31(23)26-17-9-4-10-18-26/h2-22H,1H3/b27-21-,28-22-,29-21+,29-23+,30-22-,31-23-,31-30-
InChIKey RSGIRGIORYTDAW-LDAFUEOYSA-N
Mol Weight 396.53 g/mol
Molecular Formula C31H24
Exact Mass 396.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8d9AV2vawYL
Name Benzocyclooctene, 7-methyl-6,8,9-triphenyl-
CAS Registry Number 107319-75-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H24
InChI InChI=1S/C31H24/c1-23-29(24-13-5-2-6-14-24)21-27-19-11-12-20-28(27)22-30(25-15-7-3-8-16-25)31(23)26-17-9-4-10-18-26/h2-22H,1H3/b27-21-,28-22-,29-21+,29-23+,30-22-,31-23-,31-30-
InChIKey RSGIRGIORYTDAW-LDAFUEOYSA-N
Molecular Weight 396.533 g/mol
SMILES c1(\C=2\C(=C/(\C(=C/c3c(C/2)cccc3)c2ccccc2)c2ccccc2)C)ccccc1
SPLASH splash10-0002-0019000000-dc236102d72bc54ce6a0
Source of Spectrum KC-1986-966-20
Synonyms 7-Methyl-6,8,9-triphenylbenzocyclo-octene 7-Methyl-6,8,9-triphenylbenzo[a]cyclooctene
Wiley ID 1367830