![1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-ethyl-, ethyl ester](/api/spectrum/D2IkXIzcTse/structure.png?h=300&w=458 "1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-ethyl-, ethyl ester")
| SpectraBase Compound ID | BHQPxvC5Q5H |
|---|---|
| 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 |
| Mol Weight | 211.3 g/mol |
| Molecular Formula | C12H21NO2 |
| Exact Mass | 211.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D2IkXIzcTse |
|---|---|
| Name | 1-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-ethyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |