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2-(2,4-difluorophenyl)-1,1-difluoro-1-(4-methylphenyl)sulfonyl-3-(1,2,4-triazol-1-yl)-2-propanol
SpectraBase Compound ID 3f4vMpfFJ2b
InChI InChI=1S/C18H15F4N3O3S/c1-12-2-5-14(6-3-12)29(27,28)18(21,22)17(26,9-25-11-23-10-24-25)15-7-4-13(19)8-16(15)20/h2-8,10-11,26H,9H2,1H3
InChIKey AHFYEEDGUNSSSL-UHFFFAOYSA-N
Mol Weight 429.39 g/mol
Molecular Formula C18H15F4N3O3S
Exact Mass 429.077025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AtO2BT188F
Name 2-(2,4-difluorophenyl)-1,1-difluoro-1-(4-methylphenyl)sulfonyl-3-(1,2,4-triazol-1-yl)-2-propanol
Comments Less than 3 mono-isotopic peaks
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Formula C18H15F4N3O3S
InChI InChI=1S/C18H15F4N3O3S/c1-12-2-5-14(6-3-12)29(27,28)18(21,22)17(26,9-25-11-23-10-24-25)15-7-4-13(19)8-16(15)20/h2-8,10-11,26H,9H2,1H3
InChIKey AHFYEEDGUNSSSL-UHFFFAOYSA-N
Molecular Weight 429.390 g/mol
SMILES OC(C(S(=O)(=O)c1ccc(cc1)C)(F)F)(C[n]1ncnc1)c1c(cc(cc1)F)F
SPLASH splash10-00di-0090000000-7f722f45c190532a6006
Source of Spectrum E2-49-181-2
Synonyms 2-(2,4-difluorophenyl)-1,1-difluoro-1-(4-methylphenyl)sulfonyl-3-(1,2,4-triazol-1-yl)propan-2-ol 2-(2,4-difluorophenyl)-1,1-difluoro-1-(p-tolylsulfonyl)-3-(1,2,4-triazol-1-yl)propan-2-ol 2-(2,4-difluorophenyl)-1,1-difluoro-1-tosyl-3-(1,2,4-triazol-1-yl)propan-2-ol 2-[2,4-bis(fluoranyl)phenyl]-1,1-bis(fluoranyl)-1-(4-methylphenyl)sulfonyl-3-(1,2,4-triazol-1-yl)propan-2-ol
Wiley ID 1555572