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2-[[4-(TRICHLOROMETHYL)-PYRIMIDIN-2-YL]-AMINO]-4-(TRIFLUOROMETHYL)-3,4,4A,5,6,7A-HEXAHYDROFURO-[2,3-D]-PYRIMIDIN-4-OL
SpectraBase Compound ID JD9JKpJJAc2
InChI InChI=1S/C12H11Cl3F3N5O2/c13-11(14,15)6-1-3-19-8(20-6)22-9-21-7-5(2-4-25-7)10(24,23-9)12(16,17)18/h1,3,5,7,24H,2,4H2,(H2,19,20,21,22,23)
InChIKey STQBXTUVZFAWDE-UHFFFAOYSA-N
Mol Weight 420.61 g/mol
Molecular Formula C12H11Cl3F3N5O2
Exact Mass 418.993042 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDmlPgWx194
Name 2-[[4-(TRICHLOROMETHYL)-PYRIMIDIN-2-YL]-AMINO]-4-(TRIFLUOROMETHYL)-3,4,4A,5,6,7A-HEXAHYDROFURO-[2,3-D]-PYRIMIDIN-4-OL
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11Cl3F3N5O2
InChI InChI=1S/C12H11Cl3F3N5O2/c13-11(14,15)6-1-3-19-8(20-6)22-9-21-7-5(2-4-25-7)10(24,23-9)12(16,17)18/h1,3,5,7,24H,2,4H2,(H2,19,20,21,22,23)
InChIKey STQBXTUVZFAWDE-UHFFFAOYSA-N
Literature Reference Author N.ZANNATTA,E.C.S.LOPES,L.FANTINEL,H.G.BONACORSO,M.A.P.MARTIN S
Literature Reference Citation J.HETCYCL.CHEM.,39,943(2002)
Literature Reference DOI 10.1002/jhet.5570390514
Molecular Weight 420.606 g/mol
Solvent CDCl3
Source File Reference UWSI19158