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(1S,3R,5S)-3,5-Dimethyl-1-(4-toluenesulfonylimino)thiane
SpectraBase Compound ID CiWKGHem9eo
InChI InChI=1S/C14H21NO2S2/c1-11-4-6-14(7-5-11)19(16,17)15-18-9-12(2)8-13(3)10-18/h4-7,12-13H,8-10H2,1-3H3/t12-,13+,18?
InChIKey MFZGERIULBBHCW-NCNPBXTDSA-N
Mol Weight 299.45 g/mol
Molecular Formula C14H21NO2S2
Exact Mass 299.101371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4LQROPIwsW
Name (1S,3R,5S)-3,5-Dimethyl-1-(4-toluenesulfonylimino)thiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO2S2
InChI InChI=1S/C14H21NO2S2/c1-11-4-6-14(7-5-11)19(16,17)15-18-9-12(2)8-13(3)10-18/h4-7,12-13H,8-10H2,1-3H3/t12-,13+,18?
InChIKey MFZGERIULBBHCW-NCNPBXTDSA-N
Instrument Name Finnigan MAT-95
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000198
Molecular Weight 299.447 g/mol
Reported Formula C14H21NO2(32)S2
SMILES C1[C@](C)(CS(=NS(c2ccc(C)cc2)(=O)=O)C[C@@]1(C)[H])[H]
SPLASH splash10-0059-2910000000-ce6fe583583a17ea5d13
Source of Spectrum U1-2020-2883-5
Wiley ID 1860558