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2-Methylthio-4,6-pyrimidinyl ditriflate
SpectraBase Compound ID 7fF4nc5bsDX
InChI InChI=1S/C7H4F6N2O6S3/c1-22-5-14-3(20-23(16,17)6(8,9)10)2-4(15-5)21-24(18,19)7(11,12)13/h2H,1H3
InChIKey PWXNMHVKFHQQDG-UHFFFAOYSA-N
Mol Weight 422.29 g/mol
Molecular Formula C7H4F6N2O6S3
Exact Mass 421.913568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBdYpzpHJNb
Name 2-Methylthio-4,6-pyrimidinyl ditriflate
Alternate Name(s) 2-(methylsulfanyl)-6-{[(trifluoromethyl)sulfonyl]oxy}-4-pyrimidinyl trifluoromethanesulfonate Trifluoromethanesulfonic acid[2-(methylthio)-6-(trifluoromethylsulfonyloxy)-4-pyrimidinyl]ester Trifluoromethanesulfonic acid[2-(methylthio)-6-triflyloxy-pyrimidin-4-yl]ester [2-methylsulfanyl-6-(trifluoromethylsulfonyloxy)pyrimidin-4-yl]trifluoromethanesulfonate [2-methylsulfanyl-6-(trifluoromethylsulfonyloxy)pyrimidin-4-yl]tris(fluoranyl)methanesulfonate Trifluoromethanesulfonic acid [2-(methylthio)-6-(trifluoromethylsulfonyloxy)-4-pyrimidinyl] ester [2-methylsulfanyl-6-(trifluoromethylsulfonyloxy)pyrimidin-4-yl] trifluoromethanesulfonate [2-methylsulfanyl-6-(trifluoromethylsulfonyloxy)pyrimidin-4-yl] tris(fluoranyl)methanesulfonate
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Formula C7H4F6N2O6S3
InChI InChI=1S/C7H4F6N2O6S3/c1-22-5-14-3(20-23(16,17)6(8,9)10)2-4(15-5)21-24(18,19)7(11,12)13/h2H,1H3
InChIKey PWXNMHVKFHQQDG-UHFFFAOYSA-N
Molecular Weight 422.287 g/mol
SMILES C(S(Oc1nc(SC)nc(OS(C(F)(F)F)(=O)=O)c1)(=O)=O)(F)(F)F
SPLASH splash10-014i-9440200000-a850c41d71efd4e6397e
Source of Spectrum H1-37-507-2
Wiley ID 755724