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cis-4-(Benzyloxy)cyclohexanecarboxylic acid

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

cis-4-(Benzyloxy)cyclohexanecarboxylic acid
SpectraBase Compound ID FkkbB0mtX1m
InChI InChI=1S/C14H18O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,16)/t12-,13+
InChIKey CIHKUOPEMAFMJE-BETUJISGSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IJBRMXViPj2
Name cis-4-(Benzyloxy)cyclohexanecarboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.125594437 u
Formula C14H18O3
InChI InChI=1S/C14H18O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,16)/t12-,13+
InChIKey CIHKUOPEMAFMJE-BETUJISGSA-N
Molecular Weight 234.295 g/mol
SMILES C([C@]1(CC[C@@](OCC2=CC=CC=C2)(CC1)[H])[H])(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900826