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2-Furoic acid
SpectraBase Compound ID HuCxgmKUVGv
InChI InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChIKey SMNDYUVBFMFKNZ-UHFFFAOYSA-N
Mol Weight 112.08 g/mol
Molecular Formula C5H4O3
Exact Mass 112.016044 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GY3YCNRVnIo
Name 2-Furoic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 88-14-2
ChEBI ID 30845
Comments 100 mM 2-Furoic 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 H4 O3
IUPAC Name furan-2-carboxylic acid; 2-furoic acid; 2-furancarboxylic acid
InChI InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChIKey SMNDYUVBFMFKNZ-UHFFFAOYSA-N
PubChem Compound ID 6919
SMILES C1=COC(=C1)C(=O)O
Source File Reference bmse000330