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#9G;(+/-)-[6R*,11AS*,(3Z)]-6-(2-CHLOROPHENYL)-3-(3,4-DIMETHOXYBENZYLIDENE)-8,9-DIMETHOXY-2,3,11,11A-TETRAHYDRO-6H-PYRAZINO-[1,2-B]-ISOQUINOLINE-1,4-DIONE
SpectraBase Compound ID Guzhwb9mH8o
InChI InChI=1S/C29H27ClN2O6/c1-35-23-10-9-16(12-24(23)36-2)11-21-29(34)32-22(28(33)31-21)13-17-14-25(37-3)26(38-4)15-19(17)27(32)18-7-5-6-8-20(18)30/h5-12,14-15,22,27H,13H2,1-4H3,(H,31,33)/b21-11-/t22-,27+/m0/s1
InChIKey FPWVQNXWBYOCGU-NWANQZCCSA-N
Mol Weight 535.0 g/mol
Molecular Formula C29H27ClN2O6
Exact Mass 534.155764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2G3fxjaQ875
Name #9G;(+/-)-[6R*,11AS*,(3Z)]-6-(2-CHLOROPHENYL)-3-(3,4-DIMETHOXYBENZYLIDENE)-8,9-DIMETHOXY-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 C29H27ClN2O6
InChI InChI=1S/C29H27ClN2O6/c1-35-23-10-9-16(12-24(23)36-2)11-21-29(34)32-22(28(33)31-21)13-17-14-25(37-3)26(38-4)15-19(17)27(32)18-7-5-6-8-20(18)30/h5-12,14-15,22,27H,13H2,1-4H3,(H,31,33)/b21-11-/t22-,27+/m0/s1
InChIKey FPWVQNXWBYOCGU-NWANQZCCSA-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 534.996 g/mol
Solvent CDCl3
Source File Reference UWIR20231