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METHYL-(3R*,4R*)-3-(BENZOYLOXY)-4-[6,7-DIMETHOXY-3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-1-PIPERIDINECARBOXYLATE
SpectraBase Compound ID 4V6CURWbFGK
InChI InChI=1S/C25H30N2O6/c1-30-21-13-18-9-11-26(15-19(18)14-22(21)31-2)20-10-12-27(25(29)32-3)16-23(20)33-24(28)17-7-5-4-6-8-17/h4-8,13-14,20,23H,9-12,15-16H2,1-3H3/t20-,23-/m1/s1
InChIKey AQYONGYKWDCEBI-NFBKMPQASA-N
Mol Weight 454.52 g/mol
Molecular Formula C25H30N2O6
Exact Mass 454.210387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSXYN43wwhc
Name METHYL-(3R*,4R*)-3-(BENZOYLOXY)-4-[6,7-DIMETHOXY-3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-1-PIPERIDINECARBOXYLATE
Compound Number 43
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H30N2O6
InChI InChI=1S/C25H30N2O6/c1-30-21-13-18-9-11-26(15-19(18)14-22(21)31-2)20-10-12-27(25(29)32-3)16-23(20)33-24(28)17-7-5-4-6-8-17/h4-8,13-14,20,23H,9-12,15-16H2,1-3H3/t20-,23-/m1/s1
InChIKey AQYONGYKWDCEBI-NFBKMPQASA-N
Literature Reference Author A.BOTO,R.HERNANDEZ,Y.D.LEON,J.R.MURGUIA,A.RODRIGUEZ-AFONSO
Literature Reference Citation EUR.J.ORG.CHEM.,673(2005)
Molecular Weight 454.523 g/mol
Sample ID 42418
Solvent CDCl3