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2-(2,4-Difluorophenyl)-1-(tert-butylthio)-1,1-difluoro-3-(1H-1,2,4-triazol-1-yl)-2-propanol
SpectraBase Compound ID APnvSnFiUnY
InChI InChI=1S/C15H17F4N3OS/c1-13(2,3)24-15(18,19)14(23,7-22-9-20-8-21-22)11-5-4-10(16)6-12(11)17/h4-6,8-9,23H,7H2,1-3H3
InChIKey XZFFBGHMYAIODJ-UHFFFAOYSA-N
Mol Weight 363.37 g/mol
Molecular Formula C15H17F4N3OS
Exact Mass 363.102846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnjVCa8PmPQ
Name 2-(2,4-Difluorophenyl)-1-(tert-butylthio)-1,1-difluoro-3-(1H-1,2,4-triazol-1-yl)-2-propanol
Comments Less than 3 mono-isotopic peaks
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Formula C15H17F4N3OS
InChI InChI=1S/C15H17F4N3OS/c1-13(2,3)24-15(18,19)14(23,7-22-9-20-8-21-22)11-5-4-10(16)6-12(11)17/h4-6,8-9,23H,7H2,1-3H3
InChIKey XZFFBGHMYAIODJ-UHFFFAOYSA-N
Molecular Weight 363.375 g/mol
SMILES OC(C(F)(F)SC(C)(C)C)(C[n]1ncnc1)c1c(cc(cc1)F)F
SPLASH splash10-00di-0090000000-9d544259633909df4f74
Source of Spectrum E2-49-179-9
Synonyms 1-(tert-butylsulfanyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-1,2,4-triazol-1-yl)-2-propanol 1-(tert-butylthio)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)-2-propanol 1-tert-butylsulfanyl-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol 2-[2,4-bis(fluoranyl)phenyl]-1-tert-butylsulfanyl-1,1-bis(fluoranyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Wiley ID 1555598