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1-(cyclopropylthio)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)-2-propanol
SpectraBase Compound ID 3EgWrXzw9nH
InChI InChI=1S/C14H13F4N3OS/c15-9-1-4-11(12(16)5-9)13(22,6-21-8-19-7-20-21)14(17,18)23-10-2-3-10/h1,4-5,7-8,10,22H,2-3,6H2
InChIKey SGHNLDWSNIMBML-UHFFFAOYSA-N
Mol Weight 347.33 g/mol
Molecular Formula C14H13F4N3OS
Exact Mass 347.071546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SIH2xM0FIc
Name 1-(cyclopropylthio)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)-2-propanol
Alternate Name(s) 1-(cyclopropylthio)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol 1-cyclopropylsulfanyl-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol 2-[2,4-bis(fluoranyl)phenyl]-1-cyclopropylsulfanyl-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 C14H13F4N3OS
InChI InChI=1S/C14H13F4N3OS/c15-9-1-4-11(12(16)5-9)13(22,6-21-8-19-7-20-21)14(17,18)23-10-2-3-10/h1,4-5,7-8,10,22H,2-3,6H2
InChIKey SGHNLDWSNIMBML-UHFFFAOYSA-N
Molecular Weight 347.332 g/mol
SMILES OC(C(F)(F)SC1CC1)(C[n]1ncnc1)c1c(cc(cc1)F)F
SPLASH splash10-00di-0090000000-7d9bce208ef4115baa3b
Source of Spectrum E2-49-179-9
Wiley ID 1555600