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(+/-)-[6R*,11AS*,(3Z)]-3-(3,4-DIMETHOXYBENZYLIDENE)-8,9-DIMETHOXY-6-PHENYL-2,3,11,11A-TETRAHYDRO-1H-PYRAZINO-[1,2-B]-ISOQUINOLINE-1,4(6H)-DIONE
SpectraBase Compound ID 2aj8cWeOhBA
InChI InChI=1S/C29H28N2O6/c1-34-23-11-10-17(13-24(23)35-2)12-21-29(33)31-22(28(32)30-21)14-19-15-25(36-3)26(37-4)16-20(19)27(31)18-8-6-5-7-9-18/h5-13,15-16,22,27H,14H2,1-4H3,(H,30,32)/b21-12-/t22-,27+/m0/s1
InChIKey NOZNNAVKRHBFLF-LBHNWOQZSA-N
Mol Weight 500.55 g/mol
Molecular Formula C29H28N2O6
Exact Mass 500.194737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GCPVbYP5Ns
Name (+/-)-[6R*,11AS*,(3Z)]-3-(3,4-DIMETHOXYBENZYLIDENE)-8,9-DIMETHOXY-6-PHENYL-2,3,11,11A-TETRAHYDRO-1H-PYRAZINO-[1,2-B]-ISOQUINOLINE-1,4(6H)-DIONE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H28N2O6
InChI InChI=1S/C29H28N2O6/c1-34-23-11-10-17(13-24(23)35-2)12-21-29(33)31-22(28(32)30-21)14-19-15-25(36-3)26(37-4)16-20(19)27(31)18-8-6-5-7-9-18/h5-13,15-16,22,27H,14H2,1-4H3,(H,30,32)/b21-12-/t22-,27+/m0/s1
InChIKey NOZNNAVKRHBFLF-LBHNWOQZSA-N
Literature Reference Author F.J.ARROYO,P.LOPEZ-ALVARADO,A.GANESAN,J.C.MENENDEZ
Literature Reference Citation EUR.J.ORG.CHEM.,2014,5720(2014)
Literature Reference DOI 10.1002/ejoc.201402487
Molecular Weight 500.551 g/mol
Solvent CDCl3
Source File Reference UWIR20227