| SpectraBase Compound ID | 3HJ1KG79kMg |
|---|---|
| InChI | InChI=1S/C12H16N2O2/c1-2-16-12(15)14-8-4-6-11(14)10-5-3-7-13-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3/t11-/m0/s1 |
| InChIKey | NESBODWIJLONJA-NSHDSACASA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C12H16N2O2 |
| Exact Mass | 220.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6CwEO9KGU1U |
|---|---|
| Name | (2S)-2-(3-Pyridinyl)-1-pyrrolidinecarboxylic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.121177761 u |
| Formula | C12H16N2O2 |
| InChI | InChI=1S/C12H16N2O2/c1-2-16-12(15)14-8-4-6-11(14)10-5-3-7-13-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3/t11-/m0/s1 |
| InChIKey | NESBODWIJLONJA-NSHDSACASA-N |
| Molecular Weight | 220.272 g/mol |
| SMILES | C(N1[C@](C=2C=NC=CC2)(CCC1)[H])(=O)OCC |