| SpectraBase Spectrum ID |
30oYbBgpldE |
| Name |
o-Xylene |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
68411-84-7; 95-47-6; 1330-20-7 |
| ChEBI ID |
28063 |
| Comments |
Saturated o-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 |
1,2-dimethylbenzene |
| InChI |
InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3 |
| InChIKey |
CTQNGGLPUBDAKN-UHFFFAOYSA-N |
| KEGG Compound ID |
C07212 |
| KEGG Pathways |
PATH: ko00622 Toluene and xylene degradation |
| PubChem Compound ID |
7237 |
| SMILES |
CC1=CC=CC=C1C |
| Source File Reference |
bmse000526 |
