| SpectraBase Spectrum ID |
EmAmxWWIN2u |
| Name |
Cyclohexanol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
108-93-0 |
| ChEBI ID |
18099 |
| Comments |
100 mM Cyclohexanol - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C6 H12 O |
| IUPAC Name |
cyclohexanol |
| InChI |
InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2 |
| InChIKey |
HPXRVTGHNJAIIH-UHFFFAOYSA-N |
| KEGG Compound ID |
C00854 |
| KEGG Pathways |
PATH: ko00930 Caprolactam degradation |
| PubChem Compound ID |
7966 |
| SMILES |
C1CCC(CC1)O |
| Source File Reference |
bmse000431 |
