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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) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HD7cGEzWMi
Name 4-METHYLPENTANOIC ACID
Source of Sample Eastman Organic Chemicals, Rochester, New York
Boiling Point 110-111C/25mm
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 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
Molecular Weight 116.16
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
Synonyms VALERIC ACID, 4-METHYL-, PENTANOIC ACID, 4-METHYL-, ISOCAPROIC ACID