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5-CYANO-1-(2-CHLOROPHENYL)-2-(2,6-DIMETHYLPHENYL)-4,4-BIS-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDROPYRIMIDINE

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5-CYANO-1-(2-CHLOROPHENYL)-2-(2,6-DIMETHYLPHENYL)-4,4-BIS-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDROPYRIMIDINE
SpectraBase Compound ID F0vhsndy6tE
InChI InChI=1S/C21H16ClF6N3/c1-12-6-5-7-13(2)17(12)31-11-14(10-29)19(20(23,24)25,21(26,27)28)30-18(31)15-8-3-4-9-16(15)22/h3-9,14H,11H2,1-2H3
InChIKey JQBVTOAAVQRKOT-UHFFFAOYSA-N
Mol Weight 459.82 g/mol
Molecular Formula C21H16ClF6N3
Exact Mass 459.093694 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Wu3VA1uq4e
Name 5-CYANO-1-(2-CHLOROPHENYL)-2-(2,6-DIMETHYLPHENYL)-4,4-BIS-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDROPYRIMIDINE
Compound Number 18G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16ClF6N3
InChI InChI=1S/C21H16ClF6N3/c1-12-6-5-7-13(2)17(12)31-11-14(10-29)19(20(23,24)25,21(26,27)28)30-18(31)15-8-3-4-9-16(15)22/h3-9,14H,11H2,1-2H3
InChIKey JQBVTOAAVQRKOT-UHFFFAOYSA-N
Literature Reference Author J.CYRENER,K.BURGER
Literature Reference Citation MH.CHEM.,126,319(1995)
Literature Reference DOI 10.1007/BF00816101
Solvent CDCl3
Source File Reference UWMK36