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6-(4-Chlorophenyl)-2-phenylpyrimidin-4(3H)-one

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

6-(4-Chlorophenyl)-2-phenylpyrimidin-4(3H)-one
SpectraBase Compound ID 4OShEJQFIny
InChI InChI=1S/C16H11ClN2O/c17-13-8-6-11(7-9-13)14-10-15(20)19-16(18-14)12-4-2-1-3-5-12/h1-10H,(H,18,19,20)
InChIKey YVOVSLICCMJZES-UHFFFAOYSA-N
Mol Weight 282.73 g/mol
Molecular Formula C16H11ClN2O
Exact Mass 282.055991 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4WX2zv4KQPQ
Name 6-(4-Chlorophenyl)-2-phenylpyrimidin-4(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.055990681 u
Formula C16H11ClN2O
InChI InChI=1S/C16H11ClN2O/c17-13-8-6-11(7-9-13)14-10-15(20)19-16(18-14)12-4-2-1-3-5-12/h1-10H,(H,18,19,20)
InChIKey YVOVSLICCMJZES-UHFFFAOYSA-N
SMILES C1(=NC(=CC(N1)=O)C=1C=CC(=CC1)Cl)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858296