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1-(benzylthio)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
SpectraBase Compound ID GXjrFJytbEi
InChI InChI=1S/C18H15F4N3OS/c19-14-6-7-15(16(20)8-14)17(26,10-25-12-23-11-24-25)18(21,22)27-9-13-4-2-1-3-5-13/h1-8,11-12,26H,9-10H2
InChIKey LSLVQHQTXHSKSP-UHFFFAOYSA-N
Mol Weight 397.39 g/mol
Molecular Formula C18H15F4N3OS
Exact Mass 397.087196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3h45YEksXhl
Name 1-(benzylthio)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
Alternate Name(s) 1-benzylsulfanyl-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol 2-(2,4-difluorophenyl)-1,1-difluoro-1-(phenylmethylthio)-3-(1,2,4-triazol-1-yl)-2-propanol 2-[2,4-bis(fluoranyl)phenyl]-1,1-bis(fluoranyl)-1-(phenylmethylsulfanyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Comments Less than 3 mono-isotopic peaks
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Formula C18H15F4N3OS
InChI InChI=1S/C18H15F4N3OS/c19-14-6-7-15(16(20)8-14)17(26,10-25-12-23-11-24-25)18(21,22)27-9-13-4-2-1-3-5-13/h1-8,11-12,26H,9-10H2
InChIKey LSLVQHQTXHSKSP-UHFFFAOYSA-N
Molecular Weight 397.392 g/mol
SMILES OC(C(SCc1ccccc1)(F)F)(c1c(cc(cc1)F)F)C[n]1ncnc1
SPLASH splash10-00di-0090000000-fc32860e4b6b722cb74a
Source of Spectrum E2-49-180-9
Wiley ID 1555590