| SpectraBase Spectrum ID |
4B1PPOFgWj7 |
| Name |
1,8-Dimethyl-9-thioureido-3,6-diazahomoadamantane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.156517898 u |
| Formula |
C12H22N4S |
| InChI |
InChI=1S/C12H22N4S/c1-11-5-15-3-4-16(6-11)8-12(2,7-15)9(11)14-10(13)17/h9H,3-8H2,1-2H3,(H3,13,14,17)/t9?,11-,12+ |
| InChIKey |
XKLGBRBASBGGLV-CLYYMRHHSA-N |
| Molecular Weight |
254.396 g/mol |
| SMILES |
C1N2CCN3C[C@]1(C([C@@](C3)(C2)C)NC(=S)N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811089 |
