For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-(4-Methylcyclohexanecarbonyl)benzoic acid

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

4-(4-Methylcyclohexanecarbonyl)benzoic acid
SpectraBase Compound ID Dg3puchAhv4
InChI InChI=1S/C15H18O3/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(9-7-12)15(17)18/h6-11H,2-5H2,1H3,(H,17,18)
InChIKey ZDEXIXKHUMNHPQ-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CKZI9OVGFNc
Name 4-(4-Methylcyclohexanecarbonyl)benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.125594437 u
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(9-7-12)15(17)18/h6-11H,2-5H2,1H3,(H,17,18)
InChIKey ZDEXIXKHUMNHPQ-UHFFFAOYSA-N
Molecular Weight 246.306 g/mol
SMILES C(C1CCC(C)CC1)(C1=CC=C(C=C1)C(O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947805