| SpectraBase Spectrum ID |
KviLuwUH8Rn |
| Name |
Methyl 3-cyano-r-5-(2-cyanoethyl)-c-1t,5-dimethyl-4-oxocyclopentacarboxylate |
| Alternate Name(s) |
Methyl (1S,2R)-4-cyano-2-(2-cyanoethyl)-1,2-dimethyl-3-oxocyclopentanecarboxylate |
| CAS Registry Number |
114789-66-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16N2O3 |
| InChI |
InChI=1S/C13H16N2O3/c1-12(5-4-6-14)10(16)9(8-15)7-13(12,2)11(17)18-3/h9H,4-5,7H2,1-3H3/t9?,12-,13+/m0/s1 |
| InChIKey |
WIRRDMDKRGEHSP-COKTVNPCSA-N |
| Molecular Weight |
248.282 g/mol |
| SMILES |
[C@@]1([C@](C(=O)C(C1)C#N)(CCC#N)C)(C(=O)OC)C |
| SPLASH |
splash10-0006-0900000000-6a1ad801f8490d9c96d6 |
| Source of Spectrum |
K-121-1805-6 |
| Wiley ID |
1250946 |
