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1,2-Propanediol
SpectraBase Compound ID LcY7PiOgyqB
InChI InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
InChIKey DNIAPMSPPWPWGF-UHFFFAOYSA-N
Mol Weight 76.09 g/mol
Molecular Formula C3H8O2
Exact Mass 76.052429 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4rcoamafpRV
Name 1,2-Propanediol
Acquisition Mode SIMULTANEOUS
CAS Registry Number 57-55-6
ChEBI ID 16997
Comments 100 mM 1,2-Propanediol - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C3H8O2
IUPAC Name propane-1,2-diol
InChI InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
InChIKey DNIAPMSPPWPWGF-UHFFFAOYSA-N
KEGG Compound ID C00583
PubChem Compound ID 1030
SMILES CC(CO)O
Source File Reference bmse000302