| SpectraBase Spectrum ID |
1BPSbw6Hq4I |
| Name |
4-Methyl-2-phenethyl-2,5-diazabicyclo[2.2.2]octan-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.157563271 u |
| Formula |
C15H20N2O |
| InChI |
InChI=1S/C15H20N2O/c1-15-9-7-13(11-16-15)17(14(15)18)10-8-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3 |
| InChIKey |
GBIVKVNVOUHJPE-UHFFFAOYSA-N |
| Molecular Weight |
244.338 g/mol |
| SMILES |
C1(N(C2CCC1(C)NC2)CCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845377 |
![4-Methyl-2-phenethyl-2,5-diazabicyclo[2.2.2]octan-3-one](/api/spectrum/1BPSbw6Hq4I/structure.png?h=300&w=458 "4-Methyl-2-phenethyl-2,5-diazabicyclo[2.2.2]octan-3-one")
