| SpectraBase Spectrum ID |
CEk2aomsSEr |
| Name |
8-Benzyl-2-oxo-8-azabicyclo[3.2.1]octane-7-endo-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.126263142 u |
| Formula |
C15H16N2O |
| InChI |
InChI=1S/C15H16N2O/c16-9-12-8-13-6-7-14(18)15(12)17(13)10-11-4-2-1-3-5-11/h1-5,12-13,15H,6-8,10H2/t12?,13-,15-/m0/s1 |
| InChIKey |
HAEYMUBZEHHIBK-MHEXWIEDSA-N |
| Molecular Weight |
240.306 g/mol |
| SMILES |
[C@]12(N([C@](CC2C#N)(CCC1=O)[H])CC=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952824 |
![8-Benzyl-2-oxo-8-azabicyclo[3.2.1]octane-7-endo-carbonitrile](/api/spectrum/CEk2aomsSEr/structure.png?h=300&w=458 "8-Benzyl-2-oxo-8-azabicyclo[3.2.1]octane-7-endo-carbonitrile")
