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1,1-Difluoro-2-(2,4-difluorophenyl)-1-(phenylsulfonyl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol
SpectraBase Compound ID 5s3gprzL0bl
InChI InChI=1S/C17H13F4N3O3S/c18-12-6-7-14(15(19)8-12)16(25,9-24-11-22-10-23-24)17(20,21)28(26,27)13-4-2-1-3-5-13/h1-8,10-11,25H,9H2
InChIKey DZCDDIXCUQCYEK-UHFFFAOYSA-N
Mol Weight 415.36 g/mol
Molecular Formula C17H13F4N3O3S
Exact Mass 415.061375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoBoNqbgKL1
Name 1,1-Difluoro-2-(2,4-difluorophenyl)-1-(phenylsulfonyl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol
Comments Less than 3 mono-isotopic peaks
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Formula C17H13F4N3O3S
InChI InChI=1S/C17H13F4N3O3S/c18-12-6-7-14(15(19)8-12)16(25,9-24-11-22-10-23-24)17(20,21)28(26,27)13-4-2-1-3-5-13/h1-8,10-11,25H,9H2
InChIKey DZCDDIXCUQCYEK-UHFFFAOYSA-N
Molecular Weight 415.363 g/mol
SMILES OC(C(S(=O)(=O)c1ccccc1)(F)F)(C[n]1ncnc1)c1c(cc(cc1)F)F
SPLASH splash10-00di-0090000000-40e2bba1fb2844615892
Source of Spectrum E2-49-181-2
Synonyms 2-(2,4-difluorophenyl)-1,1-difluoro-1-(phenylsulfonyl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol 1-(benzenesulfonyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)-2-propanol 1-(benzenesulfonyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol 2-[2,4-bis(fluoranyl)phenyl]-1,1-bis(fluoranyl)-1-(phenylsulfonyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Wiley ID 1555573