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3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-BENZYL-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
SpectraBase Compound ID 2uxck1eupPp
InChI InChI=1S/C24H20ClF3N2O/c1-16(18-10-6-3-7-11-18)30-22(31)29-21-13-12-19(25)14-20(21)23(30,24(26,27)28)15-17-8-4-2-5-9-17/h2-14,16H,15H2,1H3,(H,29,31)/t16-,23+/m1/s1
InChIKey TXECYLRRPIXPNM-MWTRTKDXSA-N
Mol Weight 444.89 g/mol
Molecular Formula C24H20ClF3N2O
Exact Mass 444.121625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dj3PhGe62AD
Name 3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-BENZYL-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
Compound Number 16-L ESS-POLAR-DIASTEREOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H20ClF3N2O
InChI InChI=1S/C24H20ClF3N2O/c1-16(18-10-6-3-7-11-18)30-22(31)29-21-13-12-19(25)14-20(21)23(30,24(26,27)28)15-17-8-4-2-5-9-17/h2-14,16H,15H2,1H3,(H,29,31)/t16-,23+/m1/s1
InChIKey TXECYLRRPIXPNM-MWTRTKDXSA-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
Molecular Weight 444.884 g/mol
Solvent CDCl3
Source File Reference UWLU22744