| SpectraBase Spectrum ID |
1eJ8PHXrPw2 |
| Name |
3,5,7-tri-N-Propyl-1-azaadamantan-4,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.219829176 u |
| Formula |
C18H29NO2 |
| InChI |
InChI=1S/C18H29NO2/c1-4-7-16-10-17(8-5-2)12-19(11-16)13-18(9-6-3,14(16)20)15(17)21/h4-13H2,1-3H3/t16-,17+,18+ |
| InChIKey |
UYZWSQLQXSQTAG-PIIMJCKOSA-N |
| SMILES |
C1N2C[C@@]3(C([C@]1(C([C@](C3)(CCC)C2)=O)CCC)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922002 |
