| SpectraBase Spectrum ID |
AcqDKjKr3KA |
| Name |
Propanol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
71-23-8 |
| ChEBI ID |
28831 |
| Comments |
100 mM propanol - 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 O |
| IUPAC Name |
propan-1-ol |
| InChI |
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 |
| InChIKey |
BDERNNFJNOPAEC-UHFFFAOYSA-N |
| KEGG Compound ID |
C05979 |
| KEGG Pathways |
PATH: ko00561 Glycerolipid metabolism |
| PubChem Compound ID |
1031 |
| SMILES |
CCCO |
| Source File Reference |
bmse000446 |
