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Cyclohexanone, 3-benzyl-
SpectraBase Compound ID 2chDCxhrfj7
InChI InChI=1S/C13H16O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey HAGFSCDMVBLDET-UHFFFAOYSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21cSND6nS6A
Name Cyclohexanone, 3-benzyl-
CAS Registry Number 85450-51-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey HAGFSCDMVBLDET-UHFFFAOYSA-N
Molecular Weight 188.270 g/mol
SMILES C1(=O)CC(CCC1)Cc1ccccc1
SPLASH splash10-00lg-9500000000-c500df0fd1158ca1c26e
Synonyms 3-(Phenylmethyl)-1-cyclohexanone 3-(Phenylmethyl)cyclohexan-1-one 3-Benzylcyclohexan-1-one 3-Benzylcyclohexanone
Wiley ID 1491351