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Formic acid
SpectraBase Compound ID 46qkAf1mwUP
InChI InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChIKey BDAGIHXWWSANSR-UHFFFAOYSA-N
Mol Weight 46.025 g/mol
Molecular Formula CH2O2
Exact Mass 46.005479 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9gPhZ8HWFuh
Name Formate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 141-53-7 15843-02-4 15907-03-6 27115-36-2 3349-06-2 3495-35-0 3495-36-1 4464-23-7 540-69-2 544-17-2 544-18-3 544-19-4 556-63-8 557-39-1 557-41-5 590-29-4 592-89-2 63182-21-8 64-18-6 68134-59-8 68310-83-8 70179-79-2 7056-83-9 7360-53-4 8006-93-7 811-54-1
ChEBI ID 30751
Comments 100 mM Sodium Formate - vendor: Sigma 107H0937; 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 CH2O2
IUPAC Name methanoic acid; formic acid
InChI InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChIKey BDAGIHXWWSANSR-UHFFFAOYSA-N
KEGG Compound ID C00058
KEGG Pathways PATH: map00620 Pyruvate metabolism PATH: map00630 Glyoxylate and dicarboxylate metabolism PATH: map00680 Methane metabolism PATH: map00910 Nitrogen metabolism
PubChem Compound ID 284
SMILES C(=O)O
Source File Reference bmse000203