| 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 |
