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5-CYANO-1-PHENYL-2-(2,4,6-TRIMETHYLPHENYL)-4,4-BIS-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDROPYRIMIDINE

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5-CYANO-1-PHENYL-2-(2,4,6-TRIMETHYLPHENYL)-4,4-BIS-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDROPYRIMIDINE
SpectraBase Compound ID 764voZXOsPn
InChI InChI=1S/C22H19F6N3/c1-13-9-14(2)18(15(3)10-13)31-12-17(11-29)20(21(23,24)25,22(26,27)28)30-19(31)16-7-5-4-6-8-16/h4-10,17H,12H2,1-3H3
InChIKey GHDDFGGGNBCPGB-UHFFFAOYSA-N
Mol Weight 439.41 g/mol
Molecular Formula C22H19F6N3
Exact Mass 439.148317 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xbowM7L6nW
Name 5-CYANO-1-PHENYL-2-(2,4,6-TRIMETHYLPHENYL)-4,4-BIS-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDROPYRIMIDINE
Compound Number 18H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19F6N3
InChI InChI=1S/C22H19F6N3/c1-13-9-14(2)18(15(3)10-13)31-12-17(11-29)20(21(23,24)25,22(26,27)28)30-19(31)16-7-5-4-6-8-16/h4-10,17H,12H2,1-3H3
InChIKey GHDDFGGGNBCPGB-UHFFFAOYSA-N
Literature Reference Author J.CYRENER,K.BURGER
Literature Reference Citation MH.CHEM.,126,319(1995)
Literature Reference DOI 10.1007/BF00816101
Molecular Weight 439.403 g/mol
Solvent CDCl3
Source File Reference UWMK40