| SpectraBase Spectrum ID |
3rIW9JGI8z7 |
| Name |
9-Piperidinomethyl-1-phenyl-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 |
341.246712629 u |
| Formula |
C21H31N3O |
| InChI |
InChI=1S/C21H31N3O/c25-21(17-22-9-5-2-6-10-22)19-13-23-11-12-24(14-19)16-20(21,15-23)18-7-3-1-4-8-18/h1,3-4,7-8,19,25H,2,5-6,9-17H2/t19-,20+,21? |
| InChIKey |
OROFAEMCCWOHFU-WCRBZPEASA-N |
| Molecular Weight |
341.499 g/mol |
| SMILES |
C1N2CCN3C[C@]1(C([C@@](C3)(C2)[H])(CN1CCCCC1)O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951013 |
