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1,1-bis(fluoranyl)-1-thiophen-2-yl-3-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol
SpectraBase Compound ID HYNIdAFaO8D
InChI InChI=1S/C16H12F5N3OS/c17-15(18,13-2-1-7-26-13)14(25,8-24-10-22-9-23-24)11-3-5-12(6-4-11)16(19,20)21/h1-7,9-10,25H,8H2
InChIKey WOLWRGLBIUXHOM-UHFFFAOYSA-N
Mol Weight 389.34 g/mol
Molecular Formula C16H12F5N3OS
Exact Mass 389.062124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpKGNVJKZ9d
Name 1,1-bis(fluoranyl)-1-thiophen-2-yl-3-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol
Alternate Name(s) 1,1-difluoro-1-(2-thienyl)-3-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol 1,1-difluoro-1-thiophen-2-yl-3-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]-2-propanol 1,1-difluoro-1-thiophen-2-yl-3-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-2-ol
Comments Less than 3 mono-isotopic peaks
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Formula C16H12F5N3OS
InChI InChI=1S/C16H12F5N3OS/c17-15(18,13-2-1-7-26-13)14(25,8-24-10-22-9-23-24)11-3-5-12(6-4-11)16(19,20)21/h1-7,9-10,25H,8H2
InChIKey WOLWRGLBIUXHOM-UHFFFAOYSA-N
Molecular Weight 389.344 g/mol
SMILES OC(C(c1cccs1)(F)F)(C[n]1ncnc1)c1ccc(cc1)C(F)(F)F
SPLASH splash10-0a4i-0090000000-5b47f078ae730e2dadca
Source of Spectrum E2-48-989-1
Wiley ID 1555240