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5-Phenyl-1,3-cyclohexanedione
SpectraBase Compound ID D93UOqAIdDw
InChI InChI=1S/C12H12O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey UPPYKNLSSLIIAZ-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ihr23DpYjH
Name 5-Phenylcyclohexane-1,3-dione
CAS Registry Number 493-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey UPPYKNLSSLIIAZ-UHFFFAOYSA-N
Molecular Weight 188.226 g/mol
SMILES C1(CC(CC(C1)c1ccccc1)=O)=O
SPLASH splash10-0udi-6900000000-e66e48136dcb95b42a0a
Source of Spectrum AD-0-2532-0
Synonyms 5-Phenyl-1,3-cyclohexanedione 5-Phenylcyclohexane-1,3-quinone
Wiley ID 1432926