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9-Bromotribenzo[a,c,e]cyclooctene
SpectraBase Compound ID 7bhSbsrBTvR
InChI InChI=1S/C20H13Br/c21-20-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)18-11-5-6-12-19(18)20/h1-13H/b14-13-,16-15-,18-17-,20-13+,20-19+
InChIKey NMXADAMLMXKTNQ-LEPJALPRSA-N
Mol Weight 333.23 g/mol
Molecular Formula C20H13Br
Exact Mass 332.020063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID erS7rojGaA
Name 9-Bromotribenzo[a,c,e]cyclooctene
Alternate Name(s) (E)-9-bromotribenzo[a,c,e][8]annulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13Br
InChI InChI=1S/C20H13Br/c21-20-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)18-11-5-6-12-19(18)20/h1-13H/b14-13-,16-15-,18-17-,20-13+,20-19+
InChIKey NMXADAMLMXKTNQ-LEPJALPRSA-N
Literature Reference DOI 10.1002/cber.19801130422
Molecular Weight 333.228 g/mol
SMILES c12c(-c3c(-c4c(\C=C/2Br)cccc4)cccc3)cccc1
SPLASH splash10-0udi-0190000000-37213d2a10a656d925bb
Source of Spectrum K-113-1438-11
Wiley ID 1792681