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3-(2-Chlorophenyl)-1-(4-methylphenyl)-1-propanone

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

3-(2-Chlorophenyl)-1-(4-methylphenyl)-1-propanone
SpectraBase Compound ID 9QizLevjwFF
InChI InChI=1S/C16H15ClO/c1-12-6-8-14(9-7-12)16(18)11-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3
InChIKey WQMMHLYOIZJMSS-UHFFFAOYSA-N
Mol Weight 258.75 g/mol
Molecular Formula C16H15ClO
Exact Mass 258.081143 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CpnXEx3OCYd
Name 3-(2-Chlorophenyl)-1-(4-methylphenyl)-1-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.081142802 u
Formula C16H15ClO
InChI InChI=1S/C16H15ClO/c1-12-6-8-14(9-7-12)16(18)11-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3
InChIKey WQMMHLYOIZJMSS-UHFFFAOYSA-N
Molecular Weight 258.748 g/mol
SMILES C(CCC=1C(=CC=CC1)Cl)(=O)C=1C=CC(=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921549