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DIETHYL-(4S,1'R)-6-METHYL-2-[(1'-PHENYLETHYLIMINO)-METHYL]-4-(THIEN-2''-YL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE
SpectraBase Compound ID E5kWYbmYZem
InChI InChI=1S/C25H28N2O4S/c1-5-30-24(28)21-17(4)27-19(15-26-16(3)18-11-8-7-9-12-18)22(25(29)31-6-2)23(21)20-13-10-14-32-20/h7-16,23,27H,5-6H2,1-4H3/b26-15+/t16-,23+/m1/s1
InChIKey ZEIXNWBWOIACRT-YRLYGBLNSA-N
Mol Weight 452.57 g/mol
Molecular Formula C25H28N2O4S
Exact Mass 452.176979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HyO9AYwrl8T
Name DIETHYL-(4S,1'R)-6-METHYL-2-[(1'-PHENYLETHYLIMINO)-METHYL]-4-(THIEN-2''-YL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28N2O4S
InChI InChI=1S/C25H28N2O4S/c1-5-30-24(28)21-17(4)27-19(15-26-16(3)18-11-8-7-9-12-18)22(25(29)31-6-2)23(21)20-13-10-14-32-20/h7-16,23,27H,5-6H2,1-4H3/b26-15+/t16-,23+/m1/s1
InChIKey ZEIXNWBWOIACRT-YRLYGBLNSA-N
Literature Reference Author S.MARCHALIN,K.CVOPOVA,M.KRIZ,P.BARAN,H.OULYADI,A.DAICH
Literature Reference Citation J.ORG.CHEM.,69,4227(2004)
Literature Reference DOI 10.1021/jo049706s
Molecular Weight 452.568 g/mol
Solvent CDCl3
Source File Reference UWVN21690