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Dihydroxyacetone
SpectraBase Compound ID 6VOZBTcEpGJ
InChI InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
InChIKey RXKJFZQQPQGTFL-UHFFFAOYSA-N
Mol Weight 90.08 g/mol
Molecular Formula C3H6O3
Exact Mass 90.031694 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A4QwofDv80d
Name Dihydroxyacetone
Acquisition Mode SIMULTANEOUS
CAS Registry Number 96-26-4
ChEBI ID 16016
Comments 100 mM Dihydroxyacetone - vendor: MP Biomedicals 100602; 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 C3H6O3
IUPAC Name 1,3-dihydroxypropan-2-one
InChI InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
InChIKey RXKJFZQQPQGTFL-UHFFFAOYSA-N
KEGG Compound ID C00184
KEGG Pathways PATH: map00561 Glycerolipid metabolism PATH: map00680 Methane metabolism
PubChem Compound ID 670
SMILES C(C(=O)CO)O
Source File Reference bmse000144