| SpectraBase Spectrum ID |
3ZljTm1Evbd |
| Name |
3-Methylbenzyl alcohol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
587-03-1 |
| Comments |
Saturated 3-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 |
(3-methylphenyl)methanol |
| InChI |
InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3 |
| InChIKey |
JJCKHVUTVOPLBV-UHFFFAOYSA-N |
| KEGG Compound ID |
C07216 |
| KEGG Pathways |
PATH: ko00622 Toluene and xylene degradation |
| PubChem Compound ID |
11476 |
| SMILES |
CC1=CC(=CC=C1)CO |
| Source File Reference |
bmse000540 |
