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2,2'-Dimethyl-5-methanesulfonamidothiocarbanilide

View entire compound with spectra: 3 NMR, and 1 FTIR

2,2'-Dimethyl-5-methanesulfonamidothiocarbanilide
SpectraBase Compound ID KRD3LvRFl7A
InChI InChI=1S/C16H19N3O2S2/c1-11-6-4-5-7-14(11)17-16(22)18-15-10-13(9-8-12(15)2)19-23(3,20)21/h4-10,19H,1-3H3,(H2,17,18,22)
InChIKey PJBHBBMKERQDTB-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C16H19N3O2S2
Exact Mass 349.091869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jj5Bj43tgfc
Name 2,2'-Dimethyl-5-methanesulfonamidothiocarbanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.091869210 u
Formula C16H19N3O2S2
InChI InChI=1S/C16H19N3O2S2/c1-11-6-4-5-7-14(11)17-16(22)18-15-10-13(9-8-12(15)2)19-23(3,20)21/h4-10,19H,1-3H3,(H2,17,18,22)
InChIKey PJBHBBMKERQDTB-UHFFFAOYSA-N
Molecular Weight 349.467 g/mol
SMILES N(C1=CC=CC=C1C)C(NC=1C(=CC=C(NS(=O)(=O)C)C1)C)=S