| SpectraBase Spectrum ID |
CXYmoErgsJz |
| Name |
3-Pyrazolidineacetic acid, 1-acetyl-5-cyano-3-(methoxycarbonyl)-2-methyl-, methyl ester, trans-(.+-.)- |
| CAS Registry Number |
70910-21-3 |
| 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-/m0/s1 |
| InChIKey |
XPYSIQNBBNVFOR-CABZTGNLSA-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 |
splash10-0006-0090000000-9952f1a33ef351763d07 |
| Source of Spectrum |
K-112-1729-0 |
| Synonyms |
Methyl (3S,5S)-1-acetyl-5-cyano-3-(2-methoxy-2-oxoethyl)-2-methyl-3-pyrazolidinecarboxylate
Methyl ester of(3S,5R,3R,5S)-2-acetyl-3-cyano-5-(methoxycarbonylmethyl)-1-methyl-5-pyrazolidincarboxylic acid |
| Wiley ID |
1286712 |
