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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) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9gAOiyXmaiS
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
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 BRUKER AC-300
Melting Point 95-98C
Molecular Weight 554.31
Solvent CDCl3; Reference=TMS; Temperature 297K