SpectraBase Spectrum ID |
BoawjOTaAif |
Name |
Propenamide, 2-cyano-3-phenyl-N-(2-pyridyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
249.090211985 u |
Formula |
C15H11N3O |
InChI |
InChI=1S/C15H11N3O/c16-11-13(10-12-6-2-1-3-7-12)15(19)18-14-8-4-5-9-17-14/h1-10H,(H,17,18,19)/b13-10+ |
InChIKey |
DATACIMLAIVDGY-JLHYYAGUSA-N |
Molecular Weight |
249.273 g/mol |
SMILES |
C(\C(=C\C=1C=CC=CC1)C#N)(NC1=NC=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935991 |