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Butyric acid
SpectraBase Compound ID K6IFZK0UQCA
InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey FERIUCNNQQJTOY-UHFFFAOYSA-N
Mol Weight 88.11 g/mol
Molecular Formula C4H8O2
Exact Mass 88.052429 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hou4zambGEH
Name Butyric acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 156-54-7; 107-92-6
ChEBI ID 30772
Comments 100 mM Butyric 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 C4 H8 O2
IUPAC Name butanoic acid; butyric acid
InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey FERIUCNNQQJTOY-UHFFFAOYSA-N
KEGG Compound ID C00246
KEGG Pathways PATH: ko00650 Butanoate metabolism
PubChem Compound ID 264
SMILES CCCC(=O)O
Source File Reference bmse000402