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(+/-)-Benzyl 2-oxocyclohexanecarboxylate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

(+/-)-Benzyl 2-oxocyclohexanecarboxylate
SpectraBase Compound ID Iz6lxalfasZ
InChI InChI=1S/C14H16O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKey UZOGMVJYLSQKCU-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 5bmgbKU3vt2
Name (+/-)-Benzyl 2-oxocyclohexanecarboxylate
Classification Benzyloxycarbonyls
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 232.109944372 u
Formula C14H16O3
InChI InChI=1S/C14H16O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKey UZOGMVJYLSQKCU-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
Number of Peaks 15
SMILES C1(C(CCCC1)=O)C(=O)OCc1ccccc1
SPLASH splash10-0006-9000000000-72fb298068f0d5477d18
Source of Spectrum FF-29-81-30 (DOI: 10.1002/ffj.3182)
Synonyms Benzyl 2-oxocyclohexanecarboxylate 2-Oxo-1-cyclohexanecarboxylic acid (phenylmethyl) ester Benzyl 2-oxocyclohexane-1-carboxylate (phenylmethyl) 2-oxidanylidenecyclohexane-1-carboxylate
Wiley ID 1775670