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tert-butyl-oxido-[[(1S)-2,2,2-trichloro-1-phenyl-ethyl]amino]sulfonium
SpectraBase Compound ID ITeNKdCxvtA
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
Mol Weight 328.69 g/mol
Molecular Formula C12H16Cl3NOS
Exact Mass 327.001818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYaPsSJAzj4
Name tert-butyl-oxido-[[(1S)-2,2,2-trichloro-1-phenyl-ethyl]amino]sulfonium
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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