| SpectraBase Spectrum ID |
1ys7X8Ceykb |
| Name |
Cyclohexane |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
68411-76-7; 110-82-7; 25012-93-5 |
| ChEBI ID |
29005 |
| Comments |
Saturated cyclohexane - 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 H12 |
| IUPAC Name |
cyclohexane |
| InChI |
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2 |
| InChIKey |
XDTMQSROBMDMFD-UHFFFAOYSA-N |
| KEGG Compound ID |
C11249 |
| KEGG Pathways |
PATH: ko00930 Caprolactam degradation |
| PubChem Compound ID |
8078 |
| SMILES |
C1CCCCC1 |
| Source File Reference |
bmse000545 |
