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4,4'-Dichlorobenzophenone

View entire compound with spectra: 10 NMR, 8 FTIR, 2 Raman, 1 UV-Vis, and 16 MS (GC)

4,4'-Dichlorobenzophenone
SpectraBase Compound ID K8MAKCEH5YW
InChI InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey OKISUZLXOYGIFP-UHFFFAOYSA-N
Mol Weight 251.11 g/mol
Molecular Formula C13H8Cl2O
Exact Mass 249.99522 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Mt0s94gtf
Name 4,4-Dichlorobenzophenone
Acquisition Mode SIMULTANEOUS
CAS Registry Number 90-98-2
Comments Saturated 4,4-dichlorobenzophenone - 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 C13 H8 Cl2 O
IUPAC Name bis(4-chlorophenyl)methanone
InChI InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey OKISUZLXOYGIFP-UHFFFAOYSA-N
KEGG Compound ID C06643
KEGG Pathways PATH: ko00351 1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane (DDT) degradation
PubChem Compound ID 7034
SMILES C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl
Source File Reference bmse000517