| SpectraBase Spectrum ID |
1lXPh7242TA |
| Name |
(1R,3S)-Methyl-3-methoxy-1-phenyl-butane-1-sulfonate |
| Appearance |
Colourless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18O4S |
| InChI |
InChI=1S/C12H18O4S/c1-10(15-2)9-12(17(13,14)16-3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t10-,12+/m0/s1 |
| InChIKey |
KZGTXSHPALYTTL-CMPLNLGQSA-N |
| Instrument Name |
Finnigan SSQ7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0005.212 |
| Molecular Weight |
258.332 g/mol |
| Optical Rotation |
[a]D25 = +13.2 (c = 1.0, CHCl3) |
| SMILES |
COS(=O)(=O)[C@](C[C@](C)(OC)[H])(c1ccccc1)[H] |
| SPLASH |
splash10-0a4i-9200000000-7d0773f54f8de378b83d |
| Sample Comments |
98% de, 98% ee |
| Source of Spectrum |
ARK-2004-185-(R,S)-3a |
| Wiley ID |
1875955 |
