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6-Amino-5-cyano-2-oxo-1,2-dihydropyridine-3-carboxamide

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

6-Amino-5-cyano-2-oxo-1,2-dihydropyridine-3-carboxamide
SpectraBase Compound ID 3iEPSdH5iPP
InChI InChI=1S/C7H6N4O2/c8-2-3-1-4(6(10)12)7(13)11-5(3)9/h1H,(H2,10,12)(H3,9,11,13)
InChIKey ZSFKWPKMVXZQTK-UHFFFAOYSA-N
Mol Weight 178.15 g/mol
Molecular Formula C7H6N4O2
Exact Mass 178.049075 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BGZPToteOWq
Name 6-Amino-5-cyano-2-oxo-1,2-dihydropyridine-3-carboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.049075447 u
Formula C7H6N4O2
InChI InChI=1S/C7H6N4O2/c8-2-3-1-4(6(10)12)7(13)11-5(3)9/h1H,(H2,10,12)(H3,9,11,13)
InChIKey ZSFKWPKMVXZQTK-UHFFFAOYSA-N
Molecular Weight 178.151 g/mol
SMILES C(N)(=O)C1=CC(C#N)=C(N)NC1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951283