SpectraBase Spectrum ID |
8FDkc4zUpn3 |
Name |
2-Acetylpyridine 2-methyl-4-phenylsemicarbazone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
268.132411150 u |
Formula |
C15H16N4O |
InChI |
InChI=1S/C15H16N4O/c1-12(14-10-6-7-11-16-14)18-19(2)15(20)17-13-8-4-3-5-9-13/h3-11H,1-2H3,(H,17,20)/b18-12- |
InChIKey |
KOTBFVAXKVMKAA-PDGQHHTCSA-N |
SMILES |
C1=CC=CC(=C1)NC(N(\N=C/(C1=CC=CC=N1)C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945728 |