| SpectraBase Spectrum ID |
8MAdiBbgo9c |
| Name |
1,4-Cyclohexanedione |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
637-88-7 |
| ChEBI ID |
28286 |
| Comments |
Saturated 1,4-cyclohexanedione - 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 |
C6 H8 O2 |
| IUPAC Name |
cyclohexane-1,4-quinone; cyclohexane-1,4-dione |
| InChI |
InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2 |
| InChIKey |
DCZFGQYXRKMVFG-UHFFFAOYSA-N |
| KEGG Compound ID |
C08063 |
| KEGG Pathways |
PATH: ko00629 Carbazole degradation |
| PubChem Compound ID |
12511 |
| SMILES |
C1CC(=O)CCC1=O |
| Source File Reference |
bmse000513 |
