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3-Methyl-2-oxopentanoic acid
SpectraBase Compound ID HFfSyvl9NFq
InChI InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKey JVQYSWDUAOAHFM-UHFFFAOYSA-N
Mol Weight 130.14 g/mol
Molecular Formula C6H10O3
Exact Mass 130.062994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DyQuI7sN71l
Name 3-Methyl-2-oxopentanoic acid
Source of Sample Aldrich 24,646-8 Solvent: 100 % D2O, Buffer: 50 mM sodium phosphate, Cytocide: 500 µM sodium azide, Reference: 500 µM DSSpH 7.4, temperature 298K Data Source: Madison Metabolomics Consortium
Acquisition Mode SIMULTANEOUS
CAS Registry Number 3715-31-9; 1460-34-0
ChEBI ID 28654
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C6 H10 O3
IUPAC Name 3-methyl-2-oxopentanoic acid; 2-keto-3-methyl-valeric acid; 3-methyl-2-oxo-pentanoic acid
InChI InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKey JVQYSWDUAOAHFM-UHFFFAOYSA-N
KEGG Compound ID C03465
PubChem Compound ID 47
SMILES CCC(C)C(=O)C(=O)O
Source File Reference bmse000319