| SpectraBase Spectrum ID |
7llLjfI8e5L |
| Name |
1,3-Propanediol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
504-63-2; 757125-93-2 |
| Comments |
100 mM 1,3-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 |
C3 H8 O2 |
| IUPAC Name |
propane-1,3-diol |
| InChI |
InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2 |
| InChIKey |
YPFDHNVEDLHUCE-UHFFFAOYSA-N |
| PubChem Compound ID |
10442 |
| SMILES |
C(CO)CO |
| Source File Reference |
bmse000303 |
