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Valeric acid
SpectraBase Compound ID Iwc8m4nCf5x
InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Mol Weight 102.13 g/mol
Molecular Formula C5H10O2
Exact Mass 102.06808 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID l5ZOiNS3WG
Name Valeric acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 12124-87-7; 109-52-4; 556-38-7
ChEBI ID 17418
Comments 100 mM Valeric acid - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C5 H10 O2
IUPAC Name pentanoic acid; valeric acid
InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey NQPDZGIKBAWPEJ-UHFFFAOYSA-N
KEGG Compound ID C00803
PubChem Compound ID 7991
SMILES CCCCC(=O)O
Source File Reference bmse000345