| SpectraBase Spectrum ID |
DTFSebf2nwU |
| Name |
Phenanthrene |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
85-01-8 |
| ChEBI ID |
28851 |
| Comments |
Saturated phenanthrene - 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 |
C14 H10 |
| InChI |
InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H |
| InChIKey |
YNPNZTXNASCQKK-UHFFFAOYSA-N |
| KEGG Compound ID |
C11422 |
| KEGG Pathways |
PATH: ko00626 Naphthalene and anthracene degradation |
| PubChem Compound ID |
995 |
| SMILES |
C1=CC=C2C(=C1)C=CC3=CC=CC=C32 |
| Source File Reference |
bmse000560 |
