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3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE;MAJOR-DIASTEREOMER
SpectraBase Compound ID L1ifuePd7Es
InChI InChI=1S/2C17H14ClF3N2O/c2*1-10(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*2-10,15H,1H3,(H,22,24)/t2*10-,15+/m11/s1
InChIKey LXQNXOBDSIOOOB-UEQLQQRESA-N
Mol Weight 709.52 g/mol
Molecular Formula C34H28Cl2F6N4O2
Exact Mass 708.149351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ilu5MDLccxV
Name 3-[(1R)-1-PHENYLETHYL]-6-CHLORO-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-2-ONE;MAJOR-DIASTEREOMER
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H28Cl2F6N4O2
InChI InChI=1S/2C17H14ClF3N2O/c2*1-10(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*2-10,15H,1H3,(H,22,24)/t2*10-,15+/m11/s1
InChIKey LXQNXOBDSIOOOB-UEQLQQRESA-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
Molecular Weight 709.518 g/mol
Solvent DMSO-D6
Source File Reference UWLU22747