| SpectraBase Spectrum ID |
Dq0COgYIVId |
| Name |
(1R,3S)-Methyl 3-ethoxy-1-phenyl-butane-1-sulfonate |
| Appearance |
Colourless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20O4S |
| InChI |
InChI=1S/C13H20O4S/c1-4-17-11(2)10-13(18(14,15)16-3)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3/t11-,13+/m0/s1 |
| InChIKey |
KWGVTSULFIMENV-WCQYABFASA-N |
| Instrument Name |
Finnigan SSQ7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0005.212 |
| Molecular Weight |
272.359 g/mol |
| Optical Rotation |
[a]D26 = +19.8 (c = 1.1, CHCl3) |
| SMILES |
COS(=O)(=O)[C@](C[C@](C)(OCC)[H])(c1ccccc1)[H] |
| SPLASH |
splash10-00di-9300000000-5b7d146334ab61f34020 |
| Sample Comments |
98% de, 98% ee |
| Source of Spectrum |
ARK-2004-186-(R,S)-3c |
| Wiley ID |
1875956 |
