| SpectraBase Spectrum ID |
487o7U1lYd9 |
| Name |
3-(Phenylmethyl)-1-azabicyclo[2.2.2]octane-4-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.146998588 u |
| Formula |
C15H18N2 |
| InChI |
InChI=1S/C15H18N2/c16-12-15-6-8-17(9-7-15)11-14(15)10-13-4-2-1-3-5-13/h1-5,14H,6-11H2 |
| InChIKey |
CBJFPYBPHBXBFL-UHFFFAOYSA-N |
| Molecular Weight |
226.323 g/mol |
| SMILES |
C12(C(CN(CC2)CC1)CC=1C=CC=CC1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933374 |
![3-(Phenylmethyl)-1-azabicyclo[2.2.2]octane-4-carbonitrile](/api/spectrum/487o7U1lYd9/structure.png?h=300&w=458 "3-(Phenylmethyl)-1-azabicyclo[2.2.2]octane-4-carbonitrile")
