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2-(4'-Trifluoromethylphenyl) -5-acetyl-4-thiazolyl triflate
SpectraBase Compound ID HmTprmiXgEN
InChI InChI=1S/C13H7F6NO4S2/c1-6(21)9-10(24-26(22,23)13(17,18)19)20-11(25-9)7-2-4-8(5-3-7)12(14,15)16/h2-5H,1H3
InChIKey JQINXJSGMZHJJU-UHFFFAOYSA-N
Mol Weight 419.31 g/mol
Molecular Formula C13H7F6NO4S2
Exact Mass 418.972069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yCYMW7scMf
Name 2-(4'-Trifluoromethylphenyl) -5-acetyl-4-thiazolyl triflate
Alternate Name(s) Trifluoromethanesulfonic acid[5-acetyl-2-[4-(trifluoromethyl)phenyl]-4-thiazolyl]ester Trifluoromethanesulfonic acid[5-acetyl-2-[4-(trifluoromethyl)phenyl]thiazol-4-yl]ester [5-acetyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]trifluoromethanesulfonate [5-acetyl-2-[4-(trifluoromethyl)phenyl]thiazol-4-yl]trifluoromethanesulfonate [5-ethanoyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]tris(fluoranyl)methanesulfonate Trifluoromethanesulfonic acid [5-acetyl-2-[4-(trifluoromethyl)phenyl]-4-thiazolyl] ester [5-acetyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl] trifluoromethanesulfonate [5-acetyl-2-[4-(trifluoromethyl)phenyl]thiazol-4-yl] trifluoromethanesulfonate [5-ethanoyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl] tris(fluoranyl)methanesulfonate
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Formula C13H7F6NO4S2
InChI InChI=1S/C13H7F6NO4S2/c1-6(21)9-10(24-26(22,23)13(17,18)19)20-11(25-9)7-2-4-8(5-3-7)12(14,15)16/h2-5H,1H3
InChIKey JQINXJSGMZHJJU-UHFFFAOYSA-N
Molecular Weight 419.312 g/mol
SMILES c1(c(sc(n1)-c1ccc(C(F)(F)F)cc1)C(=O)C)OS(C(F)(F)F)(=O)=O
SPLASH splash10-014i-9000300000-9515a9aaf8f7dfd8a3e1
Source of Spectrum U1-1999-3121-2
Wiley ID 753366