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3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
SpectraBase Compound ID BwpvOWN80eG
InChI InChI=1S/C17H14ClF3N2O/c1-10(11-5-3-2-4-6-11)23-15(17(19,20)21)13-9-12(18)7-8-14(13)22-16(23)24/h2-10,15H,1H3,(H,22,24)/t10-,15+/m1/s1
InChIKey CWNQZXBPYGDRCE-BMIGLBTASA-N
Mol Weight 354.76 g/mol
Molecular Formula C17H14ClF3N2O
Exact Mass 354.074675 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YBudaBVGRI
Name 3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
Compound Number 18-MINOR-DIAS TEREOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14ClF3N2O
InChI InChI=1S/C17H14ClF3N2O/c1-10(11-5-3-2-4-6-11)23-15(17(19,20)21)13-9-12(18)7-8-14(13)22-16(23)24/h2-10,15H,1H3,(H,22,24)/t10-,15+/m1/s1
InChIKey CWNQZXBPYGDRCE-BMIGLBTASA-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 UWLU22748