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METHYL_3,4,5,6,7,8-HEXAHYDRO-4-OXO-2,7-DIPHENYLQUINAZOLINE-6-CARBOXYLATE;MAJOR_REGIOISOMER
SpectraBase Compound ID GcTGD4an8Oe
InChI InChI=1S/C22H20N2O3/c1-27-22(26)17-12-18-19(13-16(17)14-8-4-2-5-9-14)23-20(24-21(18)25)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,23,24,25)/t16-,17+/m1/s1
InChIKey GBEKYAHHLSEAIT-SJORKVTESA-N
Mol Weight 360.41 g/mol
Molecular Formula C22H20N2O3
Exact Mass 360.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 88Zc93hJL8n
Name METHYL_3,4,5,6,7,8-HEXAHYDRO-4-OXO-2,7-DIPHENYLQUINAZOLINE-6-CARBOXYLATE;MAJOR_REGIOISOMER
Compound Number 12E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20N2O3
InChI InChI=1S/C22H20N2O3/c1-27-22(26)17-12-18-19(13-16(17)14-8-4-2-5-9-14)23-20(24-21(18)25)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,23,24,25)/t16-,17+/m1/s1
InChIKey GBEKYAHHLSEAIT-SJORKVTESA-N
Literature Reference Author M.W.NOETZEL,K.RAUCH,T.LABAHN,A.DEMEIJERE
Literature Reference Citation ORG.LETTERS,4,839(2002)
Literature Reference DOI 10.1021/ol025530+
Molecular Weight 360.412 g/mol
Solvent CDCl3
Source File Reference UWMZ25392