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(S)-2-p-Chlorophenyl-1-phenyl-1,4-pentanedione

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

(S)-2-p-Chlorophenyl-1-phenyl-1,4-pentanedione
SpectraBase Compound ID KzWQKn9UcOV
InChI InChI=1S/C17H15ClO2/c1-12(19)11-16(13-7-9-15(18)10-8-13)17(20)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3/t16-/m0/s1
InChIKey LMHHJOFNGXUOAI-INIZCTEOSA-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 Dp8bxWJCEh
Name (S)-2-p-Chlorophenyl-1-phenyl-1,4-pentanedione
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(19)11-16(13-7-9-15(18)10-8-13)17(20)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3/t16-/m0/s1
InChIKey LMHHJOFNGXUOAI-INIZCTEOSA-N
SMILES C([C@](C=1C=CC(=CC1)Cl)(CC(=O)C)[H])(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8563