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4H-1,2,4-triazole, 4-cyclohexyl-3-[4-(1,1-dimethylethyl)phenyl]-5-[[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]thio]-
SpectraBase Compound ID DS70oSUUP0X
InChI InChI=1S/C27H31F4N3OS/c1-26(2,3)20-13-11-19(12-14-20)23-32-33-25(34(23)21-7-5-4-6-8-21)36-17-18-9-15-22(16-10-18)35-27(30,31)24(28)29/h9-16,21,24H,4-8,17H2,1-3H3
InChIKey PRUIOWUHAIZJNE-UHFFFAOYSA-N
Mol Weight 521.62 g/mol
Molecular Formula C27H31F4N3OS
Exact Mass 521.212396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMA4jmJmOxp
Name 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[[4-(1,1,2,2-tetrafluoroethoxy)benzyl]thio]-1,2,4-triazole
Alternate Name(s) 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methylsulfanyl]-1,2,4-triazole 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methylthio]-1,2,4-triazole 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[[4-[1,1,2,2-tetrakis(fluoranyl)ethoxy]phenyl]methylsulfanyl]-1,2,4-triazole
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Formula C27H31F4N3OS
InChI InChI=1S/C27H31F4N3OS/c1-26(2,3)20-13-11-19(12-14-20)23-32-33-25(34(23)21-7-5-4-6-8-21)36-17-18-9-15-22(16-10-18)35-27(30,31)24(28)29/h9-16,21,24H,4-8,17H2,1-3H3
InChIKey PRUIOWUHAIZJNE-UHFFFAOYSA-N
Molecular Weight 521.619 g/mol
SMILES C1CCC([n]2c(nnc2SCc2ccc(OC(C(F)F)(F)F)cc2)-c2ccc(C(C)(C)C)cc2)CC1
SPLASH splash10-0a4i-9540200000-d6a7bf732e2c3fb1377e
Wiley ID 1466192