| SpectraBase Spectrum ID |
7nscrZ9SKAR |
| Name |
(2R,3R)-dimethyl 2-isopropyl-4,4-dimethyl-3-(phenylthiomethyl)cyclopentane-1,1-dicarboxylate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O4S |
| InChI |
InChI=1S/C21H30O4S/c1-14(2)17-16(12-26-15-10-8-7-9-11-15)20(3,4)13-21(17,18(22)24-5)19(23)25-6/h7-11,14,16-17H,12-13H2,1-6H3/t16-,17-/m1/s1 |
| InChIKey |
ZEQHQKSZAPEYCJ-IAGOWNOFSA-N |
| Literature Reference DOI |
10.1002/adsc.200505211 |
| Molecular Weight |
378.527 g/mol |
| SMILES |
C1(CC([C@](CSc2ccccc2)([C@]1(C(C)C)[H])[H])(C)C)(C(=O)OC)C(=O)OC |
| SPLASH |
splash10-0aba-3920000000-96f13fc66871bc9132f5 |
| Source of Spectrum |
ASC-347-1587/SM11-3k |
| Synonyms |
(2R,3R)-dimethyl 2-isopropyl-4,4-dimethyl-3-((phenylthio)methyl)cyclopentane-1,1-dicarboxylate |
| Wiley ID |
1767771 |
