SpectraBase Spectrum ID |
EYaPsSJAzj4 |
Name |
tert-butyl-oxido-[[(1S)-2,2,2-trichloro-1-phenyl-ethyl]amino]sulfonium |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C12H16Cl3NOS |
InChI |
InChI=1S/C12H16Cl3NOS/c1-11(2,3)18(17)16-10(12(13,14)15)9-7-5-4-6-8-9/h4-8,10,16H,1-3H3/t10-,18?/m0/s1 |
InChIKey |
ZKHKXRDPFOCWSL-APDXDRDNSA-N |
Ionization Type |
EI |
Molecular Weight |
328.685 g/mol |
Optical Rotation |
[a]25 = -43.5 (c = 0.73, CHCl3) |
Reported Formula |
C12H16Cl3NOS |
SMILES |
N([C@@](c1ccccc1)(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 |
1843871 |