| SpectraBase Spectrum ID |
D4HyJKZoz4Q |
| Name |
m-Xylene |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
108-38-3; 68908-87-2 |
| ChEBI ID |
28488 |
| Comments |
Saturated m-xylene - 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 |
| IUPAC Name |
1,3-dimethylbenzene |
| InChI |
InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3 |
| InChIKey |
IVSZLXZYQVIEFR-UHFFFAOYSA-N |
| KEGG Compound ID |
C07208 |
| KEGG Pathways |
PATH: ko00622 Toluene and xylene degradation |
| PubChem Compound ID |
7929 |
| SMILES |
CC1=CC(=CC=C1)C |
| Source File Reference |
bmse000554 |
