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2-{[4-(3,4-dichlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]methyl}-5-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-2H-tetrazole

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2-{[4-(3,4-dichlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]methyl}-5-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-2H-tetrazole
SpectraBase Compound ID Jc8kqfb8lnA
InChI InChI=1S/C19H11Cl2F6N7S/c1-35-17-30-28-15(34(17)12-2-3-13(20)14(21)7-12)8-33-31-16(29-32-33)9-4-10(18(22,23)24)6-11(5-9)19(25,26)27/h2-7H,8H2,1H3
InChIKey SVDSJJJHLBTNKP-UHFFFAOYSA-N
Mol Weight 554.3 g/mol
Molecular Formula C19H11Cl2F6N7S
Exact Mass 553.007789 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75yAAtAPoyn
Name 2-{[4-(3,4-dichlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]methyl}-5-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-2H-tetrazole
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Formula C19H11Cl2F6N7S
InChI InChI=1S/C19H11Cl2F6N7S/c1-35-17-30-28-15(34(17)12-2-3-13(20)14(21)7-12)8-33-31-16(29-32-33)9-4-10(18(22,23)24)6-11(5-9)19(25,26)27/h2-7H,8H2,1H3
InChIKey SVDSJJJHLBTNKP-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 59222M
Solvent CDCl3