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4(3H)-Pyrimidinone, 2-ethyl-6-methyl-3-phenyl-

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

4(3H)-Pyrimidinone, 2-ethyl-6-methyl-3-phenyl-
SpectraBase Compound ID 3HXUI4FlENN
InChI InChI=1S/C13H14N2O/c1-3-12-14-10(2)9-13(16)15(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKey CUJHBOFXLTZSDI-UHFFFAOYSA-N
Mol Weight 214.27 g/mol
Molecular Formula C13H14N2O
Exact Mass 214.110613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DF0R0oHPdpE
Name 4(3H)-Pyrimidinone, 2-ethyl-6-methyl-3-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.110613078 u
Formula C13H14N2O
InChI InChI=1S/C13H14N2O/c1-3-12-14-10(2)9-13(16)15(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKey CUJHBOFXLTZSDI-UHFFFAOYSA-N
Molecular Weight 214.268 g/mol
SMILES C(C)C=1N(C(=O)C=C(N1)C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949896