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1-Benzoyl-(2S)-isopropyl-5-phenyl-2,3-dihydro-4(1H)-pyrimidin-4-one
SpectraBase Compound ID KEY3EJUvmYm
InChI InChI=1S/C20H20N2O2/c1-14(2)18-21-19(23)17(15-9-5-3-6-10-15)13-22(18)20(24)16-11-7-4-8-12-16/h3-14,18H,1-2H3,(H,21,23)/t18-/m0/s1
InChIKey JWLOQZAGVIYHMK-SFHVURJKSA-N
Mol Weight 320.39 g/mol
Molecular Formula C20H20N2O2
Exact Mass 320.152478 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HyZ6xLsUc8V
Name 1-Benzoyl-(2S)-isopropyl-5-phenyl-2,3-dihydro-4(1H)-pyrimidin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.152477890 u
Formula C20H20N2O2
InChI InChI=1S/C20H20N2O2/c1-14(2)18-21-19(23)17(15-9-5-3-6-10-15)13-22(18)20(24)16-11-7-4-8-12-16/h3-14,18H,1-2H3,(H,21,23)/t18-/m0/s1
InChIKey JWLOQZAGVIYHMK-SFHVURJKSA-N
Molecular Weight 320.392 g/mol
SMILES [C@@]1(N(C=C(C(N1)=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1)(C(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869512