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Phenanthrene
SpectraBase Compound ID 48NXQMl7lPT
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
Mol Weight 178.23 g/mol
Molecular Formula C14H10
Exact Mass 178.07825 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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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