SpectraBase Spectrum ID |
Igk2MAio3mQ |
Name |
Pyridine-3-carboxamide, 6(1H)-oxo-N-(1-phenylethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
242.105527697 u |
Formula |
C14H14N2O2 |
InChI |
InChI=1S/C14H14N2O2/c1-10(11-5-3-2-4-6-11)16-14(18)12-7-8-13(17)15-9-12/h2-10H,1H3,(H,15,17)(H,16,18) |
InChIKey |
CCJYNWQKNHZILN-UHFFFAOYSA-N |
Molecular Weight |
242.278 g/mol |
SMILES |
C1(C(NC(C)C2=CC=CC=C2)=O)=CNC(C=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969263 |