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

*Links on SpectraBase are not permalinks.

(S)-2-(4-Fluorophenyl)-3-methylbutanoic acid

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

(S)-2-(4-Fluorophenyl)-3-methylbutanoic acid
SpectraBase Compound ID 6VW87PZbzTO
InChI InChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)/t10-/m0/s1
InChIKey YBQLHBYGMUXCEW-JTQLQIEISA-N
Mol Weight 196.22 g/mol
Molecular Formula C11H13FO2
Exact Mass 196.089958 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 5SVS6DzhvCb
Name (S)-2-(4-Fluorophenyl)-3-methylbutanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.089957820 u
Formula C11H13FO2
InChI InChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)/t10-/m0/s1
InChIKey YBQLHBYGMUXCEW-JTQLQIEISA-N
Molecular Weight 196.221 g/mol
SMILES C([C@](C=1C=CC(=CC1)F)(C(C)C)[H])(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86698