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Bicyclo[6.3.1]dodeca-6,8,10,12-tetraen-2-one, (E)-
SpectraBase Compound ID 3ThMaaGQOlJ
InChI InChI=1S/C12H12O/c13-12-8-3-1-2-5-10-6-4-7-11(12)9-10/h2,4-7,9H,1,3,8H2/b5-2-
InChIKey NMRAWZIMBUXPGE-DJWKRKHSSA-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 AZBfg9yXvEs
Name Bicyclo[6.3.1]dodeca-6,8,10,12-tetraen-2-one, (E)-
CAS Registry Number 64129-39-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c13-12-8-3-1-2-5-10-6-4-7-11(12)9-10/h2,4-7,9H,1,3,8H2/b5-2-
InChIKey NMRAWZIMBUXPGE-DJWKRKHSSA-N
Molecular Weight 172.227 g/mol
SMILES c12C(=O)CCC\C=C/c(c2)ccc1
SPLASH splash10-00kf-0900000000-d2b06c188b1628c358d2
Source of Spectrum C-99-5090-0
Synonyms 2,3-Benzo-2,4-cyclooctadienone bicyclo[6.3.1]dodeca-1(12),6,8,10-tetraen-2-one
Wiley ID 1169413