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Glycolic acid
SpectraBase Compound ID 5VihdqnQDQb
InChI InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
InChIKey AEMRFAOFKBGASW-UHFFFAOYSA-N
Mol Weight 76.05 g/mol
Molecular Formula C2H4O3
Exact Mass 76.016044 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8mpP7GvtoI5
Name Glycolate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 1932-50-9 25904-89-6 2836-32-0 35249-89-9 39663-84-8 79-14-1
ChEBI ID 29805
Comments 100 mM Sodium glycolate - vendor: Acros 351570250; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C2H4O3
IUPAC Name 2-hydroxyethanoic acid; 2-hydroxyacetic acid
InChI InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
InChIKey AEMRFAOFKBGASW-UHFFFAOYSA-N
KEGG Compound ID C00160
KEGG Pathways PATH: map00361 gamma-Hexachlorocyclohexane degradation PATH: map00630 Glyoxylate and dicarboxylate metabolism PATH: map00631 1,2-Dichloroethane degradation
PubChem Compound ID 757
SMILES C(C(=O)O)O
Source File Reference bmse000245