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2-(2,4-Difluorophenyl)-1-(ethylthio)-1,1-difluoro-3-(1H-1,2,4-triazol-1-yl)-2-propanol
SpectraBase Compound ID DhnVEYmEiMq
InChI InChI=1S/C13H13F4N3OS/c1-2-22-13(16,17)12(21,6-20-8-18-7-19-20)10-4-3-9(14)5-11(10)15/h3-5,7-8,21H,2,6H2,1H3
InChIKey HEADNZRACIURKJ-UHFFFAOYSA-N
Mol Weight 335.32 g/mol
Molecular Formula C13H13F4N3OS
Exact Mass 335.071546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cv0nZfgjZx6
Name 2-(2,4-Difluorophenyl)-1-(ethylthio)-1,1-difluoro-3-(1H-1,2,4-triazol-1-yl)-2-propanol
Alternate Name(s) 2-(2,4-difluorophenyl)-1-(ethylthio)-1,1-difluoro-3-(1,2,4-triazol-1-yl)-2-propanol 2-(2,4-difluorophenyl)-1-(ethylthio)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol 2-(2,4-difluorophenyl)-1-ethylsulfanyl-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol 2-[2,4-bis(fluoranyl)phenyl]-1-ethylsulfanyl-1,1-bis(fluoranyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Comments Less than 3 mono-isotopic peaks
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Formula C13H13F4N3OS
InChI InChI=1S/C13H13F4N3OS/c1-2-22-13(16,17)12(21,6-20-8-18-7-19-20)10-4-3-9(14)5-11(10)15/h3-5,7-8,21H,2,6H2,1H3
InChIKey HEADNZRACIURKJ-UHFFFAOYSA-N
Molecular Weight 335.321 g/mol
SMILES OC(C(F)(F)SCC)(C[n]1ncnc1)c1c(cc(cc1)F)F
SPLASH splash10-00di-0090000000-94bfd07ebaaafd86399d
Source of Spectrum E2-49-179-9
Wiley ID 1555602