| SpectraBase Spectrum ID |
19ZGCMgpdrH |
| Name |
Dimethyl-3-(2-(phenylthio)propan-2-yl)-4-(2,2,2-trichloroethyl)cyclopentane-1,1-dicarboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H25Cl3O4S |
| InChI |
InChI=1S/C20H25Cl3O4S/c1-18(2,28-14-8-6-5-7-9-14)15-12-19(16(24)26-3,17(25)27-4)10-13(15)11-20(21,22)23/h5-9,13,15H,10-12H2,1-4H3 |
| InChIKey |
OWBXFADVZLXPFO-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202000657 |
| Molecular Weight |
467.835 g/mol |
| Reported Formula |
C20H25Cl3O4S |
| SMILES |
C1(CC(C(C1)C(Sc1ccccc1)(C)C)CC(Cl)(Cl)Cl)(C(OC)=O)C(=O)OC |
| SPLASH |
splash10-03xr-1942000000-8315d3746545f10b6e52 |
| Sample Comments |
mixture of two diastereoisomers (dr = 3.5:1) |
| Source of Spectrum |
ASC-362-SM14-3m |
| Wiley ID |
1855540 |
