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3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-(TRIFLUOROMETHYL)-4-VINYL-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
SpectraBase Compound ID 3WE7zC5EZHe
InChI InChI=1S/C19H16ClF3N2O/c1-3-18(19(21,22)23)15-11-14(20)9-10-16(15)24-17(26)25(18)12(2)13-7-5-4-6-8-13/h3-12H,1H2,2H3,(H,24,26)/t12-,18+/m1/s1
InChIKey MMESVTNXOLNYIB-XIKOKIGWSA-N
Mol Weight 380.8 g/mol
Molecular Formula C19H16ClF3N2O
Exact Mass 380.090325 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 167oq4fPpRs
Name 3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
Compound Number 14-MINOR-DIAS TEREOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H16ClF3N2O
InChI InChI=1S/C19H16ClF3N2O/c1-3-18(19(21,22)23)15-11-14(20)9-10-16(15)24-17(26)25(18)12(2)13-7-5-4-6-8-13/h3-12H,1H2,2H3,(H,24,26)/t12-,18+/m1/s1
InChIKey MMESVTNXOLNYIB-XIKOKIGWSA-N
Literature Reference Author N.A.MAGNUS,P.N.CONFALONE,L.STORACE,M.PATEL,C.C.WOOD,W.P.DAVI S,R.L.PARSONS
Literature Reference Citation J.ORG.CHEM.,68,754(2003)
Literature Reference DOI 10.1021/jo0263162
Solvent CDCl3
Source File Reference UWLU22740