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5-Benzoyl-2-phenyl-1,4,5,6-tetrahydropyrimidine

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

5-Benzoyl-2-phenyl-1,4,5,6-tetrahydropyrimidine
SpectraBase Compound ID D87y79MFm89
InChI InChI=1S/C17H16N2O/c20-16(13-7-3-1-4-8-13)15-11-18-17(19-12-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19)
InChIKey GCLCZYZZHDBRLI-UHFFFAOYSA-N
Mol Weight 264.33 g/mol
Molecular Formula C17H16N2O
Exact Mass 264.126263 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Apc9XcDs231
Name 5-Benzoyl-2-phenyl-1,4,5,6-tetrahydropyrimidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.126263142 u
Formula C17H16N2O
InChI InChI=1S/C17H16N2O/c20-16(13-7-3-1-4-8-13)15-11-18-17(19-12-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19)
InChIKey GCLCZYZZHDBRLI-UHFFFAOYSA-N
Molecular Weight 264.328 g/mol
Nominal Mass 264 u
SMILES C(C1=CC=CC=C1)(=O)C1CN=C(NC1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916917