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1-(4-Chlorophenyl)-3-phenylpropan-1,2-dione

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

1-(4-Chlorophenyl)-3-phenylpropan-1,2-dione
SpectraBase Compound ID EswG55WQfP3
InChI InChI=1S/C15H11ClO2/c16-13-8-6-12(7-9-13)15(18)14(17)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey ZFCCBRQPAMPZGG-UHFFFAOYSA-N
Mol Weight 258.7 g/mol
Molecular Formula C15H11ClO2
Exact Mass 258.044757 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GWZvZ0IYXZX
Name 1-(4-Chlorophenyl)-3-phenylpropan-1,2-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.044757292 u
Formula C15H11ClO2
InChI InChI=1S/C15H11ClO2/c16-13-8-6-12(7-9-13)15(18)14(17)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey ZFCCBRQPAMPZGG-UHFFFAOYSA-N
Molecular Weight 258.704 g/mol
SMILES C=1C=C(C=CC1Cl)C(=O)C(=O)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.825585