| SpectraBase Spectrum ID |
4RTZ7Vm3L8f |
| Name |
Cyclohexanecarboxylic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
98-89-5; 25666-60-8; 7549-42-0 |
| ChEBI ID |
36096 |
| Comments |
Saturated cyclohexanecarboxylic 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 |
C7 H12 O2 |
| IUPAC Name |
cyclohexanecarboxylic acid |
| InChI |
InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9) |
| InChIKey |
NZNMSOFKMUBTKW-UHFFFAOYSA-N |
| KEGG Compound ID |
C09822 |
| KEGG Pathways |
PATH: ko00632 Benzoate degradation via CoA ligation |
| PubChem Compound ID |
7413 |
| SMILES |
C1CCC(CC1)C(=O)O |
| Source File Reference |
bmse000546 |
