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7-Bromo-5,6,9,10-tetrahydro-1,2,3,4-tetraphenylbenzocyclooctene
SpectraBase Compound ID 4qUl3qmEVcp
InChI InChI=1S/C36H29Br/c37-30-22-13-23-31-32(25-24-30)34(27-16-7-2-8-17-27)36(29-20-11-4-12-21-29)35(28-18-9-3-10-19-28)33(31)26-14-5-1-6-15-26/h1-12,14-22H,13,23-25H2/b30-22+
InChIKey GKRQIJOWNCVCAB-JBASAIQMSA-N
Mol Weight 541.5 g/mol
Molecular Formula C36H29Br
Exact Mass 540.145264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9K6TGXOxraK
Name 7-Bromo-5,6,9,10-tetrahydro-1,2,3,4-tetraphenylbenzocyclooctene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H29Br
InChI InChI=1S/C36H29Br/c37-30-22-13-23-31-32(25-24-30)34(27-16-7-2-8-17-27)36(29-20-11-4-12-21-29)35(28-18-9-3-10-19-28)33(31)26-14-5-1-6-15-26/h1-12,14-22H,13,23-25H2/b30-22+
InChIKey GKRQIJOWNCVCAB-JBASAIQMSA-N
Molecular Weight 541.532 g/mol
SMILES c12c(c(-c3ccccc3)c(c(c1CC\C=C/(CC2)Br)-c1ccccc1)-c1ccccc1)-c1ccccc1
SPLASH splash10-01ox-0001890000-93783719e3ca35431353
Source of Spectrum K-127-1532-12
Synonyms 7-Bromo-1,2,3,4-tetraphenyl-5,6,9,10-tetrahydrobenzo[a]cyclooctene
Wiley ID 1404700