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

*Links on SpectraBase are not permalinks.

(2S,3R)-2-Ethyl-3-methyl-4-pentenoic acid

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

(2S,3R)-2-Ethyl-3-methyl-4-pentenoic acid
SpectraBase Compound ID IBOPeQXuC9F
InChI InChI=1S/C8H14O2/c1-4-6(3)7(5-2)8(9)10/h4,6-7H,1,5H2,2-3H3,(H,9,10)/t6-,7+/m1/s1
InChIKey WQZNJGLYSIRLEF-RQJHMYQMSA-N
Mol Weight 142.2 g/mol
Molecular Formula C8H14O2
Exact Mass 142.09938 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 Gf4jAYbhhnh
Name (2S,3R)-2-Ethyl-3-methyl-4-pentenoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 142.099379689 u
Formula C8H14O2
InChI InChI=1S/C8H14O2/c1-4-6(3)7(5-2)8(9)10/h4,6-7H,1,5H2,2-3H3,(H,9,10)/t6-,7+/m1/s1
InChIKey WQZNJGLYSIRLEF-RQJHMYQMSA-N
Molecular Weight 142.198 g/mol
SMILES C([C@]([C@@](C=C)(C)[H])(CC)[H])(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94596