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2-(2,4-difluorophenyl)-1-(ethylsulfonyl)-1,1-difluoro-3-(1H-1,2,4-triazol-1-yl)-2-propanol
SpectraBase Compound ID KOTcpnxY5nD
InChI InChI=1S/C13H13F4N3O3S/c1-2-24(22,23)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 IXUDUJWKLANEIT-UHFFFAOYSA-N
Mol Weight 367.32 g/mol
Molecular Formula C13H13F4N3O3S
Exact Mass 367.061375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LoZqk4buME
Name 2-(2,4-difluorophenyl)-1-(ethylsulfonyl)-1,1-difluoro-3-(1H-1,2,4-triazol-1-yl)-2-propanol
Comments Less than 3 mono-isotopic peaks
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Formula C13H13F4N3O3S
InChI InChI=1S/C13H13F4N3O3S/c1-2-24(22,23)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 IXUDUJWKLANEIT-UHFFFAOYSA-N
Molecular Weight 367.319 g/mol
SMILES OC(C(S(=O)(=O)CC)(F)F)(C[n]1ncnc1)c1c(cc(cc1)F)F
SPLASH splash10-00di-0093000000-ef31eafd164aa26e2e52
Source of Spectrum E2-49-181-2
Synonyms 2-(2,4-difluorophenyl)-1-esyl-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol 2-(2,4-difluorophenyl)-1-ethylsulfonyl-1,1-difluoro-3-(1,2,4-triazol-1-yl)-2-propanol 2-(2,4-difluorophenyl)-1-ethylsulfonyl-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol 2-[2,4-bis(fluoranyl)phenyl]-1-ethylsulfonyl-1,1-bis(fluoranyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Wiley ID 1555584