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3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-PHENYL-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
SpectraBase Compound ID 6VTBsHIooVv
InChI InChI=1S/C23H18ClF3N2O/c1-15(16-8-4-2-5-9-16)29-21(30)28-20-13-12-18(24)14-19(20)22(29,23(25,26)27)17-10-6-3-7-11-17/h2-15H,1H3,(H,28,30)/t15-,22+/m1/s1
InChIKey BIGKYVKCBZSBCN-QRQCRPRQSA-N
Mol Weight 430.86 g/mol
Molecular Formula C23H18ClF3N2O
Exact Mass 430.105975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fe4geZSbY8t
Name 3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-PHENYL-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
Compound Number 15-M AJOR-DIASTEREOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H18ClF3N2O
InChI InChI=1S/C23H18ClF3N2O/c1-15(16-8-4-2-5-9-16)29-21(30)28-20-13-12-18(24)14-19(20)22(29,23(25,26)27)17-10-6-3-7-11-17/h2-15H,1H3,(H,28,30)/t15-,22+/m1/s1
InChIKey BIGKYVKCBZSBCN-QRQCRPRQSA-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 430.857 g/mol
Solvent CDCl3
Source File Reference UWLU22741