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alpha-{{5-{[(dimethylamino)methylene]amino}-1,3,4-thiadiazol-2-yl}thio}-p-toluic acid, 2,6-difluorophenyl ester
SpectraBase Compound ID 3Vxo04ht7LS
InChI InChI=1S/C19H16F2N4O2S2/c1-25(2)11-22-18-23-24-19(29-18)28-10-12-6-8-13(9-7-12)17(26)27-16-14(20)4-3-5-15(16)21/h3-9,11H,10H2,1-2H3/b22-11+
InChIKey KQNQTAHMIXTORG-SSDVNMTOSA-N
Mol Weight 434.48 g/mol
Molecular Formula C19H16F2N4O2S2
Exact Mass 434.068274 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KE80lNZlJOB
Name alpha-{{5-{[(dimethylamino)methylene]amino}-1,3,4-thiadiazol-2-yl}thio}-p-toluic acid, 2,6-difluorophenyl ester
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Formula C19H16F2N4O2S2
InChI InChI=1S/C19H16F2N4O2S2/c1-25(2)11-22-18-23-24-19(29-18)28-10-12-6-8-13(9-7-12)17(26)27-16-14(20)4-3-5-15(16)21/h3-9,11H,10H2,1-2H3/b22-11+
InChIKey KQNQTAHMIXTORG-SSDVNMTOSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 48775M
Solvent CDCl3