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#8A;1-[[(4S)-6-CHLORO-4-(2-CYCLOPROPYLETHYNYL)-1-[(4-METHOXYPHENYL)-METHYL]-2-OXO-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-3-YL]-CARBONYL]-4,7,7-TRIMETHYL-

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#8A;1-[[(4S)-6-CHLORO-4-(2-CYCLOPROPYLETHYNYL)-1-[(4-METHOXYPHENYL)-METHYL]-2-OXO-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-3-YL]-CARBONYL]-4,7,7-TRIMETHYL-
SpectraBase Compound ID CUkLFWCVGAW
InChI InChI=1S/C32H30ClF3N2O5/c1-28(2)29(3)15-16-30(28,26(40)43-29)25(39)38-27(41)37(18-20-7-10-22(42-4)11-8-20)24-12-9-21(33)17-23(24)31(38,32(34,35)36)14-13-19-5-6-19/h7-12,17,19H,5-6,15-16,18H2,1-4H3/t29-,30+,31-/m0/s1
InChIKey KVPDFFUJNGCSRG-YPKYBTACSA-N
Mol Weight 615.0 g/mol
Molecular Formula C32H30ClF3N2O5
Exact Mass 614.179534 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHi8hk2Ob7k
Name #8A;1-[[(4S)-6-CHLORO-4-(2-CYCLOPROPYLETHYNYL)-1-[(4-METHOXYPHENYL)-METHYL]-2-OXO-4-(TRIFLUOROMETHYL)-1,3,4-TRIHYDROQUINAZOLIN-3-YL]-CARBONYL]-4,7,7-TRIMETHYL-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H30ClF3N2O5
InChI InChI=1S/C32H30ClF3N2O5/c1-28(2)29(3)15-16-30(28,26(40)43-29)25(39)38-27(41)37(18-20-7-10-22(42-4)11-8-20)24-12-9-21(33)17-23(24)31(38,32(34,35)36)14-13-19-5-6-19/h7-12,17,19H,5-6,15-16,18H2,1-4H3/t29-,30+,31-/m0/s1
InChIKey KVPDFFUJNGCSRG-YPKYBTACSA-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 CDCl3
Source File Reference UWLU22728