SpectraBase Spectrum ID |
8rXu8TNjJR5 |
Name |
tert-butyl-oxido-[[(1S)-2,2,2-trichloro-1-(4-chlorophenyl)ethyl]amino]sulfonium |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C12H15Cl4NOS |
InChI |
InChI=1S/C12H15Cl4NOS/c1-11(2,3)19(18)17-10(12(14,15)16)8-4-6-9(13)7-5-8/h4-7,10,17H,1-3H3/t10-,19?/m0/s1 |
InChIKey |
SXRWACWZBIUISC-IHBJSSOOSA-N |
Ionization Type |
EI |
Molecular Weight |
363.130 g/mol |
Optical Rotation |
[a]25 = -33.5 (c = 0.78, CHCl3) |
Reported Formula |
C12H15Cl4NOS |
SMILES |
N([C@@](c1ccc(cc1)Cl)(C(Cl)(Cl)Cl)[H])[S@@+](C(C)(C)C)[O-] |
SPLASH |
splash10-0a4i-9000000000-3f979a5a82ec557199d2 |
Sample Comments |
dr = 99:1 |
Source of Spectrum |
CN101857559A |
Wiley ID |
1843873 |