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(1R,3R,5S)-3,5-Dimethyl-1-(4-toluenesulfonylimino)thiane 1-Oxide
SpectraBase Compound ID BmKC79MiAO5
InChI InChI=1S/C14H21NO3S2/c1-11-4-6-14(7-5-11)20(17,18)15-19(16)9-12(2)8-13(3)10-19/h4-7,12-13H,8-10H2,1-3H3/t12-,13+,19?
InChIKey JRCVGLQPHNZYFN-ZHZUQJFRSA-N
Mol Weight 315.45 g/mol
Molecular Formula C14H21NO3S2
Exact Mass 315.096286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hk17iQSPBrZ
Name (1R,3R,5S)-3,5-Dimethyl-1-(4-toluenesulfonylimino)thiane 1-Oxide
Appearance Colorless solid
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Formula C14H21NO3S2
InChI InChI=1S/C14H21NO3S2/c1-11-4-6-14(7-5-11)20(17,18)15-19(16)9-12(2)8-13(3)10-19/h4-7,12-13H,8-10H2,1-3H3/t12-,13+,19?
InChIKey JRCVGLQPHNZYFN-ZHZUQJFRSA-N
Instrument Name Finnigan MAT-95
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000198
Molecular Weight 315.446 g/mol
Reported Formula C14H21NO3(32)S2
SMILES C1[C@](C)(CS(=NS(c2ccc(C)cc2)(=O)=O)(C[C@@]1(C)[H])=O)[H]
SPLASH splash10-0aos-9403000000-a5e42238f1403445bb12
Source of Spectrum U1-2020-2884-7
Wiley ID 1860559