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4-Chloro-2-(diphenylmethylene)-1-phenylbutan-1-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Chloro-2-(diphenylmethylene)-1-phenylbutan-1-one
SpectraBase Compound ID G0fNoM1O2o1
InChI InChI=1S/C23H19ClO/c24-17-16-21(23(25)20-14-8-3-9-15-20)22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKey KVNLWTJDXJEQLG-UHFFFAOYSA-N
Mol Weight 346.86 g/mol
Molecular Formula C23H19ClO
Exact Mass 346.112443 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BmH7eYgIaOc
Name 4-Chloro-2-(diphenylmethylene)-1-phenylbutan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.112442931 u
Formula C23H19ClO
InChI InChI=1S/C23H19ClO/c24-17-16-21(23(25)20-14-8-3-9-15-20)22(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKey KVNLWTJDXJEQLG-UHFFFAOYSA-N
Molecular Weight 346.857 g/mol
SMILES C(=C(C=1C=CC=CC1)C=1C=CC=CC1)(CCCl)C(C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899251