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2-Pentafluoroethylthiopyrimidine
SpectraBase Compound ID GipW3nRyTn9
InChI InChI=1S/C6H3F5N2S/c7-5(8,9)6(10,11)14-4-12-2-1-3-13-4/h1-3H
InChIKey INBGZNALFQKIPL-UHFFFAOYSA-N
Mol Weight 230.16 g/mol
Molecular Formula C6H3F5N2S
Exact Mass 229.99371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XQxaKKRBf5
Name 2-Pentafluoroethylthiopyrimidine
Alternate Name(s) Pyrimidine, 2-[(pentafluoroethyl)thio]- 2-(1,1,2,2,2-Pentafluoroethylsulfanyl)pyrimidine 2-[1,1,2,2,2-Pentakis(fluoranyl)ethylsulfanyl]pyrimidine
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Formula C6H3F5N2S
InChI InChI=1S/C6H3F5N2S/c7-5(8,9)6(10,11)14-4-12-2-1-3-13-4/h1-3H
InChIKey INBGZNALFQKIPL-UHFFFAOYSA-N
Molecular Weight 230.156 g/mol
SMILES c1cnc(nc1)SC(C(F)(F)F)(F)F
SPLASH splash10-0fw9-9210000000-3bba3cdf3e45ffb7d83d
Source of Spectrum IY-1-4199-6
Wiley ID 1650019