| SpectraBase Spectrum ID |
1Wvvy5pJ8vD |
| Name |
Nonanoic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
67762-36-1; 112-05-0 |
| ChEBI ID |
29019 |
| Comments |
Saturated Nonanoic 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 |
C9 H18 O2 |
| IUPAC Name |
nonanoic acid; pelargonic acid |
| InChI |
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) |
| InChIKey |
FBUKVWPVBMHYJY-UHFFFAOYSA-N |
| KEGG Compound ID |
C01601 |
| PubChem Compound ID |
8158 |
| SMILES |
CCCCCCCCC(=O)O |
| Source File Reference |
bmse000499 |
