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4,6-diphenyl-1-ethyl-2(1H)-pyrimidinone

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

4,6-diphenyl-1-ethyl-2(1H)-pyrimidinone
SpectraBase Compound ID 9eHdjcO0lSr
InChI InChI=1S/C18H16N2O/c1-2-20-17(15-11-7-4-8-12-15)13-16(19-18(20)21)14-9-5-3-6-10-14/h3-13H,2H2,1H3
InChIKey FJCQSNRTMHICQQ-UHFFFAOYSA-N
Mol Weight 276.34 g/mol
Molecular Formula C18H16N2O
Exact Mass 276.126263 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HmwQC0w7lML
Name 4,6-Diphenyl-1-ethyl-2(1H)-pyrimidinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.126263142 u
Formula C18H16N2O
InChI InChI=1S/C18H16N2O/c1-2-20-17(15-11-7-4-8-12-15)13-16(19-18(20)21)14-9-5-3-6-10-14/h3-13H,2H2,1H3
InChIKey FJCQSNRTMHICQQ-UHFFFAOYSA-N
Molecular Weight 276.339 g/mol
SMILES C=1C(=CC=CC1)C=1N(C(N=C(C1)C=1C=CC=CC1)=O)CC
Spectrum/Structure Validation Score (Raman) 0.962568