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2-[[4-(TRICHLOROMETHYL)-PYRIMIDIN-2-YL]-AMINO]-4-(TRIFLUOROMETHYL)-3,4A,5,6,7,8A-HEXAHYDRO-4H-PYRANO-[2,3-D]-PYRIMIDIN-4-OL

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2-[[4-(TRICHLOROMETHYL)-PYRIMIDIN-2-YL]-AMINO]-4-(TRIFLUOROMETHYL)-3,4A,5,6,7,8A-HEXAHYDRO-4H-PYRANO-[2,3-D]-PYRIMIDIN-4-OL
SpectraBase Compound ID BNtMLdLFBp3
InChI InChI=1S/C13H13Cl3F3N5O2/c14-12(15,16)7-3-4-20-9(21-7)23-10-22-8-6(2-1-5-26-8)11(25,24-10)13(17,18)19/h3-4,6,8,25H,1-2,5H2,(H2,20,21,22,23,24)
InChIKey JAOSBBQRKFCXMW-UHFFFAOYSA-N
Mol Weight 434.63 g/mol
Molecular Formula C13H13Cl3F3N5O2
Exact Mass 433.008692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Is429v8ir8c
Name 2-[[4-(TRICHLOROMETHYL)-PYRIMIDIN-2-YL]-AMINO]-4-(TRIFLUOROMETHYL)-3,4A,5,6,7,8A-HEXAHYDRO-4H-PYRANO-[2,3-D]-PYRIMIDIN-4-OL
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13Cl3F3N5O2
InChI InChI=1S/C13H13Cl3F3N5O2/c14-12(15,16)7-3-4-20-9(21-7)23-10-22-8-6(2-1-5-26-8)11(25,24-10)13(17,18)19/h3-4,6,8,25H,1-2,5H2,(H2,20,21,22,23,24)
InChIKey JAOSBBQRKFCXMW-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 434.633 g/mol
Solvent CDCl3
Source File Reference UWSI19159