| SpectraBase Spectrum ID |
Alr5SG4mZ1C |
| Name |
Octanoic Acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
124-07-2 |
| ChEBI ID |
28837 |
| Comments |
Saturated Octanoic 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 |
C8H16O2 |
| IUPAC Name |
octanoic acid; caprylic acid |
| InChI |
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) |
| InChIKey |
WWZKQHOCKIZLMA-UHFFFAOYSA-N |
| KEGG Compound ID |
C06423 |
| PubChem Compound ID |
379 |
| SMILES |
CCCCCCCC(=O)O |
| Source File Reference |
bmse000502 |
