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N-(4-Methylphenyl)-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
SpectraBase Compound ID 8nC3o8mcLUK
InChI InChI=1S/C16H13N3O2/c1-11-5-7-12(8-6-11)18-15(20)13-10-17-14-4-2-3-9-19(14)16(13)21/h2-10H,1H3,(H,18,20)
InChIKey BIUADCNDPUDZOM-UHFFFAOYSA-N
Mol Weight 279.3 g/mol
Molecular Formula C16H13N3O2
Exact Mass 279.100777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6QQPAxFpVcS
Name N-(4-Methylphenyl)-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.100776669 u
Formula C16H13N3O2
InChI InChI=1S/C16H13N3O2/c1-11-5-7-12(8-6-11)18-15(20)13-10-17-14-4-2-3-9-19(14)16(13)21/h2-10H,1H3,(H,18,20)
InChIKey BIUADCNDPUDZOM-UHFFFAOYSA-N
SMILES C=1(C(N2C(=NC1)C=CC=C2)=O)C(NC1=CC=C(C=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97354