| SpectraBase Spectrum ID |
30rr4lHY5po |
| Name |
Decanoic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
334-48-5; 15773-52-1; 52627-73-3 |
| ChEBI ID |
30813 |
| Comments |
Saturated decanoic acid - Sigma-Aldrich
Solvent CDCl3, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C10 H20 O2 |
| IUPAC Name |
capric acid; decanoic acid |
| InChI |
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) |
| InChIKey |
GHVNFZFCNZKVNT-UHFFFAOYSA-N |
| KEGG Compound ID |
C01571 |
| KEGG Pathways |
PATH: ko00061 Fatty acid biosynthesis |
| PubChem Compound ID |
2969 |
| SMILES |
CCCCCCCCCC(=O)O |
| Source File Reference |
bmse000370 |
