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4(1H)-Pyrimidinone, 6-ethoxy-2-phenyl-
SpectraBase Compound ID BGSMjBfFnIT
InChI InChI=1S/C12H12N2O2/c1-2-16-11-8-10(15)13-12(14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14,15)
InChIKey PJTOQULKVMWVLW-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C12H12N2O2
Exact Mass 216.089878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DE1hPSRb81g
Name 4(1H)-Pyrimidinone, 6-ethoxy-2-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.089877632 u
Formula C12H12N2O2
InChI InChI=1S/C12H12N2O2/c1-2-16-11-8-10(15)13-12(14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14,15)
InChIKey PJTOQULKVMWVLW-UHFFFAOYSA-N
Molecular Weight 216.240 g/mol
SMILES CCOC1=CC(N=C(N1)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852744