| SpectraBase Spectrum ID |
12eUGkjztnm |
| Name |
1-Azabicyclo[2.2.2]octane-3-carbonitrile, 3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.194677055 u |
| Formula |
C18H25N3O2 |
| InChI |
InChI=1S/C18H25N3O2/c1-22-16-4-3-14(11-17(16)23-2)5-8-20-18(12-19)13-21-9-6-15(18)7-10-21/h3-4,11,15,20H,5-10,13H2,1-2H3 |
| InChIKey |
XCICRKYWHHRREI-UHFFFAOYSA-N |
| Molecular Weight |
315.417 g/mol |
| SMILES |
C1CN2CC(C1CC2)(NCCC=1C=CC(OC)=C(OC)C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980909 |
![1-Azabicyclo[2.2.2]octane-3-carbonitrile, 3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-](/api/spectrum/12eUGkjztnm/structure.png?h=300&w=458 "1-Azabicyclo[2.2.2]octane-3-carbonitrile, 3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-")
