| SpectraBase Spectrum ID |
CgjJ6QN8lTs |
| Name |
3-Pyrazolidineacetic acid, 1-acetyl-5-cyano-3-(methoxycarbonyl)-2-methyl-, methyl ester, cis-(.+-.)- |
| CAS Registry Number |
70910-20-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H17N3O5 |
| InChI |
InChI=1S/C12H17N3O5/c1-8(16)15-9(7-13)5-12(14(15)2,11(18)20-4)6-10(17)19-3/h9H,5-6H2,1-4H3/t9-,12+/m1/s1 |
| InChIKey |
XPYSIQNBBNVFOR-SKDRFNHKSA-N |
| Molecular Weight |
283.284 g/mol |
| SMILES |
[C@]1(N(N(C(=O)C)[C@](C1)(C#N)[H])C)(CC(=O)OC)C(=O)OC |
| SPLASH |
splash10-00kf-0490000000-6793dfa6ce920e2a4577 |
| Source of Spectrum |
K-112-1729-0 |
| Synonyms |
Methyl (3S,5R)-1-acetyl-5-cyano-3-(2-methoxy-2-oxoethyl)-2-methyl-3-pyrazolidinecarboxylate
Methyl ester of (3R,5r:3s,5S)-2-acetyl-3-cyano-5-(methoxycarbonylmethyl)-1-methyl-5-pyrazolidine carboxylic acid |
| Wiley ID |
1286711 |
