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1-Cyclohexene-1-carboxylic acid, 5-hydroxy-5-phenyl-, methyl ester
SpectraBase Compound ID JBF46kXuz7q
InChI InChI=1S/C14H16O3/c1-17-13(15)11-6-5-9-14(16,10-11)12-7-3-2-4-8-12/h2-4,6-8,16H,5,9-10H2,1H3
InChIKey BNNPWFYOFXGWRX-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 31lbriY48jN
Name 1-Cyclohexene-1-carboxylic acid, 5-hydroxy-5-phenyl-, methyl ester
CAS Registry Number 126314-13-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-17-13(15)11-6-5-9-14(16,10-11)12-7-3-2-4-8-12/h2-4,6-8,16H,5,9-10H2,1H3
InChIKey BNNPWFYOFXGWRX-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
SMILES OC1(CC(C(=O)OC)=CCC1)c1ccccc1
SPLASH splash10-05i0-3920000000-49065541c5afa7e3fbaf
Source of Spectrum F-45-5952-13
Synonyms Methyl 5-hydroxy-5-phenyl-1-cyclohexene-1-carboxylate Methyl 5-hydroxy-5-phenylcyclohex-1-enecarboxylate
Wiley ID 1233955