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(4S)-6-chloro-4-[(E)-2-cyclopropyl-2-pyrrolidin-1-ylethenyl]-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one

View entire compound with spectra: 2 NMR

(4S)-6-chloro-4-[(E)-2-cyclopropyl-2-pyrrolidin-1-ylethenyl]-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one
SpectraBase Compound ID FvDuLslmzs6
InChI InChI=1S/C26H27ClF3N3O/c1-17(18-7-3-2-4-8-18)33-24(34)31-22-12-11-20(27)15-21(22)25(33,26(28,29)30)16-23(19-9-10-19)32-13-5-6-14-32/h2-4,7-8,11-12,15-17,19H,5-6,9-10,13-14H2,1H3,(H,31,34)/b23-16+/t17-,25+/m1/s1
InChIKey SGFAGEPRFHQNEU-MYMXKZGLSA-N
Mol Weight 489.97 g/mol
Molecular Formula C26H27ClF3N3O
Exact Mass 489.179475 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHvEZCBn5RI
Name (4S)-6-chloro-4-[(E)-2-cyclopropyl-2-pyrrolidin-1-ylethenyl]-3-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-1H-quinazolin-2-one
Compound Number 19-MAJOR-DIASTEREOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H27ClF3N3O
InChI InChI=1S/C26H27ClF3N3O/c1-17(18-7-3-2-4-8-18)33-24(34)31-22-12-11-20(27)15-21(22)25(33,26(28,29)30)16-23(19-9-10-19)32-13-5-6-14-32/h2-4,7-8,11-12,15-17,19H,5-6,9-10,13-14H2,1H3,(H,31,34)/b23-16+/t17-,25+/m1/s1
InChIKey SGFAGEPRFHQNEU-MYMXKZGLSA-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 Unknown
Source File Reference UWLU22749