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4'-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-2,2,2-trichloroacetanilide

View entire compound with spectra: 2 NMR, 1 FTIR, and 3 UV-Vis

4'-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-2,2,2-trichloroacetanilide
SpectraBase Compound ID JCTEFOiqutf
InChI InChI=1S/C11H9Cl3N4O3S2/c1-6-16-17-10(22-6)18-23(20,21)8-4-2-7(3-5-8)15-9(19)11(12,13)14/h2-5H,1H3,(H,15,19)(H,17,18)
InChIKey JERKYUSEIXQODC-UHFFFAOYSA-N
Mol Weight 415.7 g/mol
Molecular Formula C11H9Cl3N4O3S2
Exact Mass 413.918166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SlFV2YaAgZ
Name 4'-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-2,2,2-trichloroacetanilide
Comments Computed using HOSE algorithm
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Exact Mass 413.918165611 u
Formula C11H9Cl3N4O3S2
InChI InChI=1S/C11H9Cl3N4O3S2/c1-6-16-17-10(22-6)18-23(20,21)8-4-2-7(3-5-8)15-9(19)11(12,13)14/h2-5H,1H3,(H,15,19)(H,17,18)
InChIKey JERKYUSEIXQODC-UHFFFAOYSA-N
Molecular Weight 415.697 g/mol
SMILES N(C=1SC(=NN1)C)S(C1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)=O)(=O)=O