| SpectraBase Spectrum ID |
19bXRDWJnJW |
| Name |
3,5,7-Triethyl-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 |
249.172878983 u |
| Formula |
C15H23NO2 |
| InChI |
InChI=1S/C15H23NO2/c1-4-13-7-14(5-2)9-16(8-13)10-15(6-3,11(13)17)12(14)18/h4-10H2,1-3H3/t13-,14+,15+ |
| InChIKey |
CAXUIUHMGOZXRA-FICVDOATSA-N |
| Molecular Weight |
249.354 g/mol |
| SMILES |
C1N2C[C@@]3(C([C@]1(C([C@](C3)(CC)C2)=O)CC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826436 |
