| SpectraBase Spectrum ID |
IypckFbE2Mq |
| Name |
1-Methylnaphthalene |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
78900-94-4; 90-12-0 |
| ChEBI ID |
50717 |
| Comments |
Saturated 1-methylnaphthalene - 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 |
C11 H10 |
| IUPAC Name |
1-methylnaphthalene |
| InChI |
InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3 |
| InChIKey |
QPUYECUOLPXSFR-UHFFFAOYSA-N |
| KEGG Compound ID |
C14082 |
| KEGG Pathways |
PATH: ko00624 1- and 2-Methylnaphthalene degradation
PATH: map07114 Naphthalene family |
| PubChem Compound ID |
7002 |
| SMILES |
CC1=CC=CC2=CC=CC=C12 |
| Source File Reference |
bmse000531 |
