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Trimethyl phosphonoacetate
SpectraBase Compound ID HRak6EsRY8t
InChI InChI=1S/C5H11O5P/c1-8-5(6)4-11(7,9-2)10-3/h4H2,1-3H3
InChIKey SIGOIUCRXKUEIG-UHFFFAOYSA-N
Mol Weight 182.11 g/mol
Molecular Formula C5H11O5P
Exact Mass 182.03441 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J4SutxfLIed
Name Trimethyl phosphonoacetate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 51298-31-8 5927-18-4
Comments 100 mM trimethyl phosphonoacetate - vendor: Acros 140230250; 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 C5H11O5P
IUPAC Name 2-dimethoxyphosphorylacetic acid methyl ester; methyl 2-dimethoxyphosphorylethanoate; methyl 2-dimethoxyphosphorylacetate
InChI InChI=1S/C5H11O5P/c1-8-5(6)4-11(7,9-2)10-3/h4H2,1-3H3
InChIKey SIGOIUCRXKUEIG-UHFFFAOYSA-N
PubChem Compound ID 80029
SMILES COC(=O)CP(=O)(OC)OC
Source File Reference bmse000156