SpectraBase Spectrum ID |
7XbizB7QWZS |
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 |