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2-(2,4-Difluorophenyl)-1,1-difluoro-1-(tert-butylsulfonyl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol
SpectraBase Compound ID 8MS0yKEssM8
InChI InChI=1S/C15H17F4N3O3S/c1-13(2,3)26(24,25)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 XBAVUMUKHDYNOR-UHFFFAOYSA-N
Mol Weight 395.37 g/mol
Molecular Formula C15H17F4N3O3S
Exact Mass 395.092675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hFJrotWc7o
Name 2-(2,4-Difluorophenyl)-1,1-difluoro-1-(tert-butylsulfonyl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol
Comments Less than 3 mono-isotopic peaks
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Formula C15H17F4N3O3S
InChI InChI=1S/C15H17F4N3O3S/c1-13(2,3)26(24,25)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 XBAVUMUKHDYNOR-UHFFFAOYSA-N
Molecular Weight 395.373 g/mol
SMILES OC(C(S(=O)(=O)C(C)(C)C)(F)F)(C[n]1ncnc1)c1c(cc(cc1)F)F
SPLASH splash10-00di-0090000000-1f8649172d07615aaf6a
Source of Spectrum E2-49-181-2
Synonyms 1-(tert-butylsulfonyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-1,2,4-triazol-1-yl)-2-propanol 1-tert-butylsulfonyl-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)-2-propanol 2-[2,4-bis(fluoranyl)phenyl]-1-tert-butylsulfonyl-1,1-bis(fluoranyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Wiley ID 1555580