| SpectraBase Spectrum ID |
8AcwazdlL2f |
| Name |
9-Tert-butylaminomethyl-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 |
329.246712629 u |
| Formula |
C20H31N3O |
| InChI |
InChI=1S/C20H31N3O/c1-18(2,3)21-13-20(24)17-11-22-9-10-23(12-17)15-19(20,14-22)16-7-5-4-6-8-16/h4-8,17,21,24H,9-15H2,1-3H3/t17-,19+,20? |
| InChIKey |
LBDHKBFIUGVKSQ-CCVCMDGJSA-N |
| Molecular Weight |
329.488 g/mol |
| SMILES |
C1N2CCN3C[C@]1(C([C@@](C3)(C2)[H])(CNC(C)(C)C)O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894841 |
