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cis-4-[N-(p-Methoxyphenyl)benzamido]cyclohexanecarboxylic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

cis-4-[N-(p-Methoxyphenyl)benzamido]cyclohexanecarboxylic acid
SpectraBase Compound ID 9ASGq0npMKA
InChI InChI=1S/C21H23NO4/c1-26-19-13-11-18(12-14-19)22(20(23)15-5-3-2-4-6-15)17-9-7-16(8-10-17)21(24)25/h2-6,11-14,16-17H,7-10H2,1H3,(H,24,25)/t16-,17+
InChIKey DMKDUJKSMGLKCW-CALCHBBNSA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3o8MlalGYwN
Name cis-4-[N-(p-Methoxyphenyl)benzamido]cyclohexanecarboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.162708221 u
Formula C21H23NO4
InChI InChI=1S/C21H23NO4/c1-26-19-13-11-18(12-14-19)22(20(23)15-5-3-2-4-6-15)17-9-7-16(8-10-17)21(24)25/h2-6,11-14,16-17H,7-10H2,1H3,(H,24,25)/t16-,17+
InChIKey DMKDUJKSMGLKCW-CALCHBBNSA-N
Molecular Weight 353.418 g/mol
SMILES OC([C@]1(CC[C@](CC1)(N(C=1C=CC(=CC1)OC)C(C=1C=CC=CC1)=O)[H])[H])=O