| SpectraBase Spectrum ID |
APspQWaeRXd |
| Name |
4-Methylbenzyl alcohol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
185532-77-8; 589-18-4 |
| ChEBI ID |
1895 |
| Comments |
Saturated 4-methylbenzyl alcohol - 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 |
C8 H10 O |
| IUPAC Name |
(4-methylphenyl)methanol |
| InChI |
InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3 |
| InChIKey |
KMTDMTZBNYGUNX-UHFFFAOYSA-N |
| KEGG Compound ID |
C06757 |
| KEGG Pathways |
PATH: ko00622 Toluene and xylene degradation |
| PubChem Compound ID |
11505 |
| SMILES |
CC1=CC=C(C=C1)CO |
| Source File Reference |
bmse000520 |
