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#9E;(+/-)-[6R*,11AS*,(3Z)]-3-(3,4-DIMETHOXYBENZYLIDENE)-8,9-DIMETHOXY-6-(3-NITROPHENYL)-2,3,11,11A-TETRAHYDRO-6H-PYRAZINO-[1,2-B]-ISOQUINOLINE-1,4-DIONE
SpectraBase Compound ID 3j3BI0JhJlK
InChI InChI=1S/C29H27N3O8/c1-37-23-9-8-16(11-24(23)38-2)10-21-29(34)31-22(28(33)30-21)13-18-14-25(39-3)26(40-4)15-20(18)27(31)17-6-5-7-19(12-17)32(35)36/h5-12,14-15,22,27H,13H2,1-4H3,(H,30,33)/b21-10-/t22-,27+/m0/s1
InChIKey PIYFOGSVCBIOGI-ZVBHUUSFSA-N
Mol Weight 545.55 g/mol
Molecular Formula C29H27N3O8
Exact Mass 545.179815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3l9EBaqifGm
Name #9E;(+/-)-[6R*,11AS*,(3Z)]-3-(3,4-DIMETHOXYBENZYLIDENE)-8,9-DIMETHOXY-6-(3-NITROPHENYL)-2,3,11,11A-TETRAHYDRO-6H-PYRAZINO-[1,2-B]-ISOQUINOLINE-1,4-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H27N3O8
InChI InChI=1S/C29H27N3O8/c1-37-23-9-8-16(11-24(23)38-2)10-21-29(34)31-22(28(33)30-21)13-18-14-25(39-3)26(40-4)15-20(18)27(31)17-6-5-7-19(12-17)32(35)36/h5-12,14-15,22,27H,13H2,1-4H3,(H,30,33)/b21-10-/t22-,27+/m0/s1
InChIKey PIYFOGSVCBIOGI-ZVBHUUSFSA-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 545.549 g/mol
Solvent CDCl3
Source File Reference UWIR20229