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3-(4-Methylphenylsulphonyloxy)-5-anilino-1,2,4-thiadiazole

View entire compound with spectra: 2 NMR

3-(4-Methylphenylsulphonyloxy)-5-anilino-1,2,4-thiadiazole
SpectraBase Compound ID B6dadi7b9Vf
InChI InChI=1S/C15H13N3O3S2/c1-11-7-9-13(10-8-11)23(19,20)21-14-17-15(22-18-14)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,18)
InChIKey CTPVAYISSINYFC-UHFFFAOYSA-N
Mol Weight 347.41 g/mol
Molecular Formula C15H13N3O3S2
Exact Mass 347.039834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1sNLvx3hEnE
Name 3-(4-Methylphenylsulphonyloxy)-5-anilino-1,2,4-thiadiazole
Comments Computed using HOSE algorithm
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Exact Mass 347.039833636 u
Formula C15H13N3O3S2
InChI InChI=1S/C15H13N3O3S2/c1-11-7-9-13(10-8-11)23(19,20)21-14-17-15(22-18-14)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,18)
InChIKey CTPVAYISSINYFC-UHFFFAOYSA-N
Molecular Weight 347.407 g/mol
SMILES N(C1=NC(OS(c2ccc(cc2)C)(=O)=O)=NS1)c1ccccc1