| SpectraBase Spectrum ID |
ICqI3lTYitt |
| Name |
(3aS,4S,7aS)-2,2-dimethyl-4-(phenylthio)-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester |
| CAS Registry Number |
130177-71-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20O4S |
| InChI |
InChI=1S/C17H20O4S/c1-17(2)20-13-10-9-12(16(18)19-3)15(14(13)21-17)22-11-7-5-4-6-8-11/h4-9,13-15H,10H2,1-3H3/t13-,14-,15-/m0/s1 |
| InChIKey |
SBUXIIDLPJLTAE-KKUMJFAQSA-N |
| Molecular Weight |
320.403 g/mol |
| SMILES |
C=1([C@@]([C@]2(OC(C)(C)O[C@]2(CC1)[H])[H])(Sc1ccccc1)[H])C(=O)OC |
| SPLASH |
splash10-0ir0-0915000000-65c9c8783f5255aee9f9 |
| Source of Spectrum |
F-46-3990-24 |
| Wiley ID |
1319997 |
