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5-CYANO-1-ETHYL-4-(TRIFLUOROMETHYL)-6-(1H)-PYRIMIDINONE

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5-CYANO-1-ETHYL-4-(TRIFLUOROMETHYL)-6-(1H)-PYRIMIDINONE
SpectraBase Compound ID 8uq6sL2xk3Y
InChI InChI=1S/C8H6F3N3O/c1-2-14-4-13-6(8(9,10)11)5(3-12)7(14)15/h4H,2H2,1H3
InChIKey UUPQXDVYAUDDMP-UHFFFAOYSA-N
Mol Weight 217.15 g/mol
Molecular Formula C8H6F3N3O
Exact Mass 217.046296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fDfiQrWOhk
Name 5-CYANO-1-ETHYL-4-(TRIFLUOROMETHYL)-6-(1H)-PYRIMIDINONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6F3N3O
InChI InChI=1S/C8H6F3N3O/c1-2-14-4-13-6(8(9,10)11)5(3-12)7(14)15/h4H,2H2,1H3
InChIKey UUPQXDVYAUDDMP-UHFFFAOYSA-N
Literature Reference Author L.F.LEE,Y.L.SING
Literature Reference Citation J.ORG.CHEM.,55,380(1990)
Literature Reference DOI 10.1021/jo00288a075
Molecular Weight 217.150 g/mol
Solvent CD3OD
Source File Reference UWED11176