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Ethanone, 1-phenyl-2-(1,2,3,4-tetrahydro-2-hydroxy-4-pyrimidinyl)-
SpectraBase Compound ID KGcW7zFFEdV
InChI InChI=1S/C12H14N2O2/c15-11(9-4-2-1-3-5-9)8-10-6-7-13-12(16)14-10/h1-7,10,12-14,16H,8H2
InChIKey GPDQNIHNXJXCBQ-UHFFFAOYSA-N
Mol Weight 218.26 g/mol
Molecular Formula C12H14N2O2
Exact Mass 218.105528 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5GYPTroEiwp
Name Ethanone, 1-phenyl-2-(1,2,3,4-tetrahydro-2-hydroxy-4-pyrimidinyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.105527697 u
Formula C12H14N2O2
InChI InChI=1S/C12H14N2O2/c15-11(9-4-2-1-3-5-9)8-10-6-7-13-12(16)14-10/h1-7,10,12-14,16H,8H2
InChIKey GPDQNIHNXJXCBQ-UHFFFAOYSA-N
Molecular Weight 218.256 g/mol
SMILES C1(NC(C=CN1)CC(=O)C1=CC=CC=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955504