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1-(p-Chlorophenyl)-4-(4'-methylphenyl)butane-1,4-dione

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

1-(p-Chlorophenyl)-4-(4'-methylphenyl)butane-1,4-dione
SpectraBase Compound ID AD7gJBw4lWE
InChI InChI=1S/C17H15ClO2/c1-12-2-4-13(5-3-12)16(19)10-11-17(20)14-6-8-15(18)9-7-14/h2-9H,10-11H2,1H3
InChIKey XACCXKBNHBNHOD-UHFFFAOYSA-N
Mol Weight 286.76 g/mol
Molecular Formula C17H15ClO2
Exact Mass 286.076057 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5ivazYmnd7e
Name 1-(p-Chlorophenyl)-4-(4'-methylphenyl)butane-1,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.076057421 u
Formula C17H15ClO2
InChI InChI=1S/C17H15ClO2/c1-12-2-4-13(5-3-12)16(19)10-11-17(20)14-6-8-15(18)9-7-14/h2-9H,10-11H2,1H3
InChIKey XACCXKBNHBNHOD-UHFFFAOYSA-N
SMILES C(CCC(=O)C=1C=CC(=CC1)C)(=O)C=1C=CC(=CC1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939393