| SpectraBase Spectrum ID |
EpkkYCN7FOc |
| Name |
(2S,5R)-methyl 5-cyano-1-(pyridin-4-yl)-pyrrolidine-2-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13N3O2 |
| InChI |
InChI=1S/C12H13N3O2/c1-17-12(16)11-3-2-10(8-13)15(11)9-4-6-14-7-5-9/h4-7,10-11H,2-3H2,1H3/t10-,11+/m1/s1 |
| InChIKey |
OGUCXWKHUUPRFR-MNOVXSKESA-N |
| Ionization Type |
EI |
| Molecular Weight |
231.255 g/mol |
| Optical Rotation |
[a]D21 = +79 (c = 1.0, CHCl3) |
| Reported Formula |
C12H13N3O2 |
| SMILES |
[C@]1(N([C@](CC1)(C#N)[H])c1ccncc1)(C(=O)OC)[H] |
| SPLASH |
splash10-00di-0910000000-6cb4968f24f4bcaab017 |
| Source of Spectrum |
JP5342163B2 |
| Wiley ID |
1852392 |
