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3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-METHYL-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
SpectraBase Compound ID 9KAWEKlWQ34
InChI InChI=1S/C18H16ClF3N2O/c1-11(12-6-4-3-5-7-12)24-16(25)23-15-9-8-13(19)10-14(15)17(24,2)18(20,21)22/h3-11H,1-2H3,(H,23,25)/t11-,17+/m1/s1
InChIKey XHNWVFIPXAUAOM-DIFFPNOSSA-N
Mol Weight 368.79 g/mol
Molecular Formula C18H16ClF3N2O
Exact Mass 368.090325 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7HeLmaWDkHJ
Name 3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-METHYL-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE
Compound Number 17-M AJOR-DIASTEREOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16ClF3N2O
InChI InChI=1S/C18H16ClF3N2O/c1-11(12-6-4-3-5-7-12)24-16(25)23-15-9-8-13(19)10-14(15)17(24,2)18(20,21)22/h3-11H,1-2H3,(H,23,25)/t11-,17+/m1/s1
InChIKey XHNWVFIPXAUAOM-DIFFPNOSSA-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 UWLU22745