SpectraBase Spectrum ID |
HltMXshVc13 |
Name |
1-Azacyclononane-1-thiocarboxylic acid 2-[1-[2-pyridyl]ethylidene]hydrazide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
304.172167963 u |
Formula |
C16H24N4S |
InChI |
InChI=1S/C16H24N4S/c1-14(15-10-6-7-11-17-15)18-19-16(21)20-12-8-4-2-3-5-9-13-20/h6-7,10-11H,2-5,8-9,12-13H2,1H3,(H,19,21)/b18-14+ |
InChIKey |
RGTRFKVNYVUDGX-NBVRZTHBSA-N |
Molecular Weight |
304.456 g/mol |
SMILES |
C1CCCCCCN(C1)C(=S)N\N=C\(C1=CC=CC=N1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850344 |