| SpectraBase Spectrum ID |
6YoFxr2EjJ9 |
| Name |
1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-ethyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
211.157228918 u |
| Formula |
C12H21NO2 |
| InChI |
InChI=1S/C12H21NO2/c1-3-9-8-13-6-5-10(9)7-11(13)12(14)15-4-2/h9-11H,3-8H2,1-2H3 |
| InChIKey |
GBJVJMRUGLIVNO-UHFFFAOYSA-N |
| Molecular Weight |
211.305 g/mol |
| SMILES |
C1(N2CCC(C1)C(C2)CC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902378 |
![1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-ethyl-, ethyl ester](/api/spectrum/6YoFxr2EjJ9/structure.png?h=300&w=458 "1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-ethyl-, ethyl ester")
