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

*Links on SpectraBase are not permalinks.

4-Methyl-2-phenyl-hexanoic acid

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

4-Methyl-2-phenyl-hexanoic acid
SpectraBase Compound ID yw3pEYas5t
InChI InChI=1S/C13H18O2/c1-3-10(2)9-12(13(14)15)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,14,15)
InChIKey XZBZRJWIGSPWSU-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 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 HzpqVY8DFNL
Name 4-Methyl-2-phenyl-hexanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-3-10(2)9-12(13(14)15)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,14,15)
InChIKey XZBZRJWIGSPWSU-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C(C(CC(CC)C)C=1C=CC=CC1)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932819