| SpectraBase Spectrum ID |
HqkBPqyqGwY |
| Name |
3-Butyn-1-ol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
927-74-2 |
| Comments |
100 mM 3-butyn-1-ol - 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 |
C4 H6 O |
| IUPAC Name |
but-3-yn-1-ol |
| InChI |
InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2 |
| InChIKey |
OTJZCIYGRUNXTP-UHFFFAOYSA-N |
| KEGG Compound ID |
C06146 |
| KEGG Pathways |
PATH: ko00650 Butanoate metabolism |
| PubChem Compound ID |
13566 |
| SMILES |
C#CCCO |
| Source File Reference |
bmse000362 |
