| SpectraBase Spectrum ID |
4nFuT7hAX2y |
| Name |
(1R,3S)-Methyl 3-isopropoxy-1-phenyl-butane-1-sulfonate |
| Appearance |
Colourless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H22O4S |
| InChI |
InChI=1S/C14H22O4S/c1-11(2)18-12(3)10-14(19(15,16)17-4)13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3/t12-,14+/m0/s1 |
| InChIKey |
HNINYUJENVCHJJ-GXTWGEPZSA-N |
| Instrument Name |
Finnigan SSQ7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0005.212 |
| Molecular Weight |
286.386 g/mol |
| Optical Rotation |
[a]D26 = +22.2 (c = 1.1, CHCl3) |
| SMILES |
COS(=O)(=O)[C@](C[C@](C)(OC(C)C)[H])(c1ccccc1)[H] |
| SPLASH |
splash10-000j-9500000000-29364cee34669c99ad64 |
| Sample Comments |
98% de, 98% ee |
| Source of Spectrum |
ARK-2004-187-(R,S)-3e |
| Wiley ID |
1875958 |
