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2-(2,4-difluorophenyl)-1,1-difluoro-1-(p-anisylthio)-3-(1,2,4-triazol-1-yl)propan-2-ol
SpectraBase Compound ID 8cSIQB7RS4n
InChI InChI=1S/C19H17F4N3O2S/c1-28-15-5-2-13(3-6-15)9-29-19(22,23)18(27,10-26-12-24-11-25-26)16-7-4-14(20)8-17(16)21/h2-8,11-12,27H,9-10H2,1H3
InChIKey KNEJLGCSICXJIO-UHFFFAOYSA-N
Mol Weight 427.42 g/mol
Molecular Formula C19H17F4N3O2S
Exact Mass 427.097761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JOhfpBTOSZ
Name 2-(2,4-difluorophenyl)-1,1-difluoro-1-(p-anisylthio)-3-(1,2,4-triazol-1-yl)propan-2-ol
Alternate Name(s) 2-(2,4-difluorophenyl)-1,1-difluoro-1-[(4-methoxyphenyl)methylsulfanyl]-3-(1,2,4-triazol-1-yl)propan-2-ol 2-(2,4-difluorophenyl)-1,1-difluoro-1-[(4-methoxyphenyl)methylthio]-3-(1,2,4-triazol-1-yl)-2-propanol 2-[2,4-bis(fluoranyl)phenyl]-1,1-bis(fluoranyl)-1-[(4-methoxyphenyl)methylsulfanyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
Comments Less than 3 mono-isotopic peaks
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Formula C19H17F4N3O2S
InChI InChI=1S/C19H17F4N3O2S/c1-28-15-5-2-13(3-6-15)9-29-19(22,23)18(27,10-26-12-24-11-25-26)16-7-4-14(20)8-17(16)21/h2-8,11-12,27H,9-10H2,1H3
InChIKey KNEJLGCSICXJIO-UHFFFAOYSA-N
Molecular Weight 427.418 g/mol
SMILES OC(C(SCc1ccc(cc1)OC)(F)F)(C[n]1ncnc1)c1c(cc(cc1)F)F
SPLASH splash10-00di-0900000000-c9b0b5f152bcd3ac7b5e
Source of Spectrum E2-49-180-9
Wiley ID 1555589