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3-{{[(p-chlorophenyl)sulfonyl]cyanomethylene}hydrazino}-4-(isopropylsulfonyl)-5-(methylthio)-2-thiophenecarboxylic acid, methyl ester

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3-{{[(p-chlorophenyl)sulfonyl]cyanomethylene}hydrazino}-4-(isopropylsulfonyl)-5-(methylthio)-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID 95AEP6ivMXc
InChI InChI=1S/C18H18ClN3O6S4/c1-10(2)31(24,25)16-14(15(17(23)28-3)30-18(16)29-4)22-21-13(9-20)32(26,27)12-7-5-11(19)6-8-12/h5-8,10,22H,1-4H3/b21-13+
InChIKey WHCIIOFVQZYPKG-FYJGNVAPSA-N
Mol Weight 536.1 g/mol
Molecular Formula C18H18ClN3O6S4
Exact Mass 534.976698 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2kQQAfdoSq4
Name 3-{{[(p-chlorophenyl)sulfonyl]cyanomethylene}hydrazino}-4-(isopropylsulfonyl)-5-(methylthio)-2-thiophenecarboxylic acid, methyl ester
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Formula C18H18ClN3O6S4
InChI InChI=1S/C18H18ClN3O6S4/c1-10(2)31(24,25)16-14(15(17(23)28-3)30-18(16)29-4)22-21-13(9-20)32(26,27)12-7-5-11(19)6-8-12/h5-8,10,22H,1-4H3/b21-13+
InChIKey WHCIIOFVQZYPKG-FYJGNVAPSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 56694M
Solvent CDCl3