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5(6H)-Benzocyclooctenone, 7,8-dihydro-
SpectraBase Compound ID 3zw2enVBjVj
InChI InChI=1S/C12H12O/c13-12-9-3-1-2-6-10-7-4-5-8-11(10)12/h2,4-8H,1,3,9H2/b6-2-
InChIKey ISTABYCMGAFLDQ-KXFIGUGUSA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9b2WxjcOAHC
Name 5(6H)-Benzocyclooctenone, 7,8-dihydro-
Alternate Name(s) 7,8-Dihydrobenzo[a]cycloocten-5(6H)-one
CAS Registry Number 69576-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c13-12-9-3-1-2-6-10-7-4-5-8-11(10)12/h2,4-8H,1,3,9H2/b6-2-
InChIKey ISTABYCMGAFLDQ-KXFIGUGUSA-N
Molecular Weight 172.227 g/mol
SMILES c12C(=O)CCC\C=C/c2cccc1
SPLASH splash10-00kf-0900000000-d2b06c188b1628c358d2
Source of Spectrum W5-11075-0-0
Wiley ID 1169414