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2-(Mesitylcarbamoyl)cyclohexanecarboxylic acid

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2-(Mesitylcarbamoyl)cyclohexanecarboxylic acid
SpectraBase Compound ID 40nY7DeaWF2
InChI InChI=1S/C17H23NO3/c1-10-8-11(2)15(12(3)9-10)18-16(19)13-6-4-5-7-14(13)17(20)21/h8-9,13-14H,4-7H2,1-3H3,(H,18,19)(H,20,21)
InChIKey ZKDSDIXJXZLPAK-UHFFFAOYSA-N
Mol Weight 289.37 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5uBxnZOqpXF
Name 2-(Mesitylcarbamoyl)cyclohexanecarboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.167793602 u
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-10-8-11(2)15(12(3)9-10)18-16(19)13-6-4-5-7-14(13)17(20)21/h8-9,13-14H,4-7H2,1-3H3,(H,18,19)(H,20,21)
InChIKey ZKDSDIXJXZLPAK-UHFFFAOYSA-N
Molecular Weight 289.375 g/mol
SMILES N(C(C1C(C(=O)O)CCCC1)=O)C=1C(=CC(=CC1C)C)C
Spectrum/Structure Validation Score (Raman) 0.738833