| SpectraBase Spectrum ID |
2xS6pVfVp9p |
| Name |
1-Methyl-3,6-diazahomoadamantan-9-one 4-phenylthiosemicarbazone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.167416935 u |
| Formula |
C17H23N5S |
| InChI |
InChI=1S/C17H23N5S/c1-17-11-21-7-8-22(12-17)10-13(9-21)15(17)19-20-16(23)18-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H2,18,20,23)/b19-15+/t13-,17+ |
| InChIKey |
WMSAQMOPGLKGES-ROIZRXBNSA-N |
| Molecular Weight |
329.466 g/mol |
| SMILES |
C1N2CCN3C[C@]1(\C([C@@](C3)(C2)[H])=N\NC(=S)NC1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89919 |
