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3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-METHOXY-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
SpectraBase Compound ID 8M8NNg2WCze
InChI InChI=1S/C18H16ClF3N2O2/c1-11(12-6-4-3-5-7-12)24-16(25)23-15-9-8-13(19)10-14(15)17(24,26-2)18(20,21)22/h3-11H,1-2H3,(H,23,25)/t11-,17-/m1/s1
InChIKey KGSBVHBZWULIRX-PIGZYNQJSA-N
Mol Weight 384.79 g/mol
Molecular Formula C18H16ClF3N2O2
Exact Mass 384.08524 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 81YoPN3OcwD
Name 3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-METHOXY-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
Compound Number 13- MAJOR-DIASTEREOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16ClF3N2O2
InChI InChI=1S/C18H16ClF3N2O2/c1-11(12-6-4-3-5-7-12)24-16(25)23-15-9-8-13(19)10-14(15)17(24,26-2)18(20,21)22/h3-11H,1-2H3,(H,23,25)/t11-,17-/m1/s1
InChIKey KGSBVHBZWULIRX-PIGZYNQJSA-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 UWLU22736