| SpectraBase Spectrum ID |
D9aAU6rlIRL |
| Name |
Propargyl alcohol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
107-19-7 |
| ChEBI ID |
28905 |
| Comments |
100 mM Propargyl alcohol - 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 H4 O |
| IUPAC Name |
prop-2-yn-1-ol |
| InChI |
InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2 |
| InChIKey |
TVDSBUOJIPERQY-UHFFFAOYSA-N |
| KEGG Compound ID |
C05986 |
| KEGG Pathways |
PATH: ko00640 Propanoate metabolism |
| PubChem Compound ID |
7859 |
| SMILES |
C#CCO |
| Source File Reference |
bmse000363 |
