| SpectraBase Spectrum ID |
BpYyN97cfjt |
| Name |
methyl (2Z,1'R,2'S,3'R)-3-[2'-cyano-3'-diethoxymethyl-2'-[(4-methylphenyl)sulfinyl]-cyclopropyl]acrylate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H25NO5S |
| InChI |
InChI=1S/C20H25NO5S/c1-5-25-19(26-6-2)18-16(11-12-17(22)24-4)20(18,13-21)27(23)15-9-7-14(3)8-10-15/h7-12,16,18-19H,5-6H2,1-4H3/b12-11-/t16-,18-,20+,27?/m1/s1 |
| InChIKey |
OPJHWGDMOLPWMY-LWJQBTOJSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0006.618 |
| Molecular Weight |
391.482 g/mol |
| SMILES |
[C@@]1([C@]([C@]1(\C=C/C(OC)=O)[H])(C(OCC)OCC)[H])(S(=O)c1ccc(cc1)C)C#N |
| SPLASH |
splash10-0gw0-0930000000-35d523afcdd579ceff9e |
| Sample Comments |
diastereoisomeric mixture |
| Source of Spectrum |
ARK-2005-218-2b |
| Wiley ID |
1871049 |
![methyl (2Z,1'R,2'S,3'R)-3-[2'-cyano-3'-diethoxymethyl-2'-[(4-methylphenyl)sulfinyl]-cyclopropyl]acrylate](/api/spectrum/BpYyN97cfjt/structure.png?h=300&w=458 "methyl (2Z,1'R,2'S,3'R)-3-[2'-cyano-3'-diethoxymethyl-2'-[(4-methylphenyl)sulfinyl]-cyclopropyl]acrylate")
