| SpectraBase Spectrum ID |
2XbtdjTET5U |
| Name |
(1R,3S)-Methyl 3-propoxy-1-phenyl-butane-1-sulfonate |
| Appearance |
Colourless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H22O4S |
| InChI |
InChI=1S/C14H22O4S/c1-4-10-18-12(2)11-14(19(15,16)17-3)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3/t12-,14+/m0/s1 |
| InChIKey |
INXLGDRTSQWUEP-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]D23 = +18.9 (c = 1.0, CHCl3) |
| SMILES |
COS(=O)(=O)[C@](C[C@](C)(OCCC)[H])(c1ccccc1)[H] |
| SPLASH |
splash10-000i-9610000000-f166f2c69ed1cc89d5d4 |
| Sample Comments |
98% de, 98% ee |
| Source of Spectrum |
ARK-2004-186-(R,S)-3d |
| Wiley ID |
1875957 |
