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tert-butyl-oxido-[[(1S)-2,2,2-trichloro-1-(4-chlorophenyl)ethyl]amino]sulfonium
SpectraBase Compound ID 7YXeAq3TIGb
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
Mol Weight 363.1 g/mol
Molecular Formula C12H15Cl4NOS
Exact Mass 360.962846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rXu8TNjJR5
Name tert-butyl-oxido-[[(1S)-2,2,2-trichloro-1-(4-chlorophenyl)ethyl]amino]sulfonium
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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