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3-[(1R)-1-PHENYLETHYL]-(4S)-6-CHLORO-4-HYDROXY-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
SpectraBase Compound ID Fqx60lLFBnT
InChI InChI=1S/C17H14ClF3N2O2/c1-10(11-5-3-2-4-6-11)23-15(24)22-14-8-7-12(18)9-13(14)16(23,25)17(19,20)21/h2-10,25H,1H3,(H,22,24)/t10-,16+/m1/s1
InChIKey YAJQCUWQFWPARC-HWPZZCPQSA-N
Mol Weight 370.76 g/mol
Molecular Formula C17H14ClF3N2O2
Exact Mass 370.06959 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vbVzE0USuR
Name 3-[(1R)-1-PHENYLETHYL]-(4S)-6-CHLORO-4-HYDROXY-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
Compound Number 10-MAJOR-DIASTEREOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14ClF3N2O2
InChI InChI=1S/C17H14ClF3N2O2/c1-10(11-5-3-2-4-6-11)23-15(24)22-14-8-7-12(18)9-13(14)16(23,25)17(19,20)21/h2-10,25H,1H3,(H,22,24)/t10-,16+/m1/s1
InChIKey YAJQCUWQFWPARC-HWPZZCPQSA-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 DMSO-D6
Source File Reference UWLU22730