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4-Methylvaleric acid

View entire compound with spectra: 14 NMR, 11 FTIR, 1 Raman, 8 MS (GC), and 2 Near IR

4-Methylvaleric acid
SpectraBase Compound ID 4ZJkwL291Nk
InChI InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey FGKJLKRYENPLQH-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GT4Z7thOAcT
Name 4-Methylvaleric acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 277827
CAS Registry Number 646-07-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey FGKJLKRYENPLQH-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Methylpentanoic acid; Isocaproic acid
Wiley ID SIAL_13CNMR_005124