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2-{{5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl}methyl}-5-(alpha,alpha,alpha,alpha',lapha',alpha'-hexafluoro-3,5-xylyl)-2H-tetrazole

View entire compound with spectra: 2 NMR, and 1 FTIR

2-{{5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl}methyl}-5-(alpha,alpha,alpha,alpha',lapha',alpha'-hexafluoro-3,5-xylyl)-2H-tetrazole
SpectraBase Compound ID JzCIN199kB7
InChI InChI=1S/C25H13Cl4F6N7S/c26-17-2-1-3-18(27)16(17)11-43-23-38-36-21(42(23)15-4-5-19(28)20(29)9-15)10-41-39-22(37-40-41)12-6-13(24(30,31)32)8-14(7-12)25(33,34)35/h1-9H,10-11H2
InChIKey MRLQNLRDFYVFOB-UHFFFAOYSA-N
Mol Weight 699.3 g/mol
Molecular Formula C25H13Cl4F6N7S
Exact Mass 696.961144 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 76ABlRIgkzu
Name 2-{{5-[(2,6-DICHLOROBENZYL)THIO]-4-(3,4-DICHLOROPHENYL)-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 C25H13Cl4F6N7S
InChI InChI=1S/C25H13Cl4F6N7S/c26-17-2-1-3-18(27)16(17)11-43-23-38-36-21(42(23)15-4-5-19(28)20(29)9-15)10-41-39-22(37-40-41)12-6-13(24(30,31)32)8-14(7-12)25(33,34)35/h1-9H,10-11H2
InChIKey MRLQNLRDFYVFOB-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 161-163C
Molecular Weight 699.30
Solvent CDCl3; Reference=TMS; Temperature 297K