| SpectraBase Spectrum ID |
70xtg0Ka0Ni |
| Name |
1-Phenyl-9-(3-phenylthioureido)methyl-3,6-diazahomoadamantan-9-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.198382711 u |
| Formula |
C23H28N4OS |
| InChI |
InChI=1S/C23H28N4OS/c28-23(15-24-21(29)25-20-9-5-2-6-10-20)19-13-26-11-12-27(14-19)17-22(23,16-26)18-7-3-1-4-8-18/h1-10,19,28H,11-17H2,(H2,24,25,29)/t19-,22+,23? |
| InChIKey |
BVZVBTZJCCUIIF-PXDSEPRNSA-N |
| Molecular Weight |
408.564 g/mol |
| SMILES |
C1N2CCN3C[C@]1(C([C@@](C3)(C2)[H])(O)CNC(=S)NC1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956471 |
