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2-Benzyl-5-oxocyclohexanecarboxylic acid
SpectraBase Compound ID 27UTa4rbZFX
InChI InChI=1S/C14H16O3/c15-12-7-6-11(13(9-12)14(16)17)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,16,17)
InChIKey RPYASTUWLRHTAX-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IZZWXFSoJT
Name 2-Benzyl-5-oxocyclohexanecarboxylic acid
CAS Registry Number 92251-81-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c15-12-7-6-11(13(9-12)14(16)17)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,16,17)
InChIKey RPYASTUWLRHTAX-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
SMILES OC(C1C(Cc2ccccc2)CCC(C1)=O)=O
SPLASH splash10-0006-9400000000-5e57b191b9ba4d8023f0
Source of Spectrum AD-0-2532-0
Synonyms 2-Benzyl-5-keto-cyclohexanecarboxylic acid 2-Benzyl-5-oxocyclohexane-1-carboxylic acid 5-Oxidanylidene-2-(phenylmethyl)cyclohexane-1-carboxylic acid 5-Oxo-2-(phenylmethyl)-1-cyclohexanecarboxylic acid Cyclohexanecarboxylic acid, 2-benzyl-5-oxo-
Wiley ID 1434816