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N-[2-(Cyanoamino)phenyl]pyridine-3-carboxamide

View entire compound with spectra: 1 FTIR

N-[2-(Cyanoamino)phenyl]pyridine-3-carboxamide
SpectraBase Compound ID 5uNQuGfDPfe
InChI InChI=1S/C13H10N4O/c14-9-16-11-5-1-2-6-12(11)17-13(18)10-4-3-7-15-8-10/h1-8,16H,(H,17,18)
InChIKey PWMNHRUEMFSFLU-UHFFFAOYSA-N
Mol Weight 238.25 g/mol
Molecular Formula C13H10N4O
Exact Mass 238.085461 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BgXZZYN20ou
Name N-[2-(Cyanoamino)phenyl]pyridine-3-carboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.085460957 u
Formula C13H10N4O
InChI InChI=1S/C13H10N4O/c14-9-16-11-5-1-2-6-12(11)17-13(18)10-4-3-7-15-8-10/h1-8,16H,(H,17,18)
InChIKey PWMNHRUEMFSFLU-UHFFFAOYSA-N
Molecular Weight 238.250 g/mol
SMILES C1=CC=C(C(NC(=O)C2=CC=CN=C2)=C1)NC#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951064