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Oxalate
SpectraBase Compound ID CKdQDoRrpzc
InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
InChIKey MUBZPKHOEPUJKR-UHFFFAOYSA-N
Mol Weight 90.03 g/mol
Molecular Formula C2H2O4
Exact Mass 89.995309 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9POmhrrb2O0
Name Oxalate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 144-62-7 216451-38-6 63504-28-9 97993-78-7
ChEBI ID 30623
Comments 100 mM oxalate - vendor: ?; 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 C2H2O4
IUPAC Name ethanedioic acid; oxalic acid
InChI InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
InChIKey MUBZPKHOEPUJKR-UHFFFAOYSA-N
KEGG Compound ID C00209
KEGG Pathways PATH: map00630 Glyoxylate and dicarboxylate metabolism
PubChem Compound ID 971
SMILES C(=O)(C(=O)O)O
Source File Reference bmse000106