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(+/-)-[6R*,11AS*,(3Z)]-3-(3,4-DIMETHOXYBENZYLIDENE)-6-ETHYL-8,9-DIMETHOXY-2,3,11,11A-TETRAHYDRO-6H-PYRAZINO-[1,2-B]-ISOQUINOLINE-1,4-DIONE
SpectraBase Compound ID LpUcSwQqjji
InChI InChI=1S/C25H28N2O6/c1-6-18-16-13-23(33-5)22(32-4)12-15(16)11-19-24(28)26-17(25(29)27(18)19)9-14-7-8-20(30-2)21(10-14)31-3/h7-10,12-13,18-19H,6,11H2,1-5H3,(H,26,28)/b17-9-/t18-,19+/m1/s1
InChIKey KMTOMJSOKRUCRW-XBHWDRPYSA-N
Mol Weight 452.51 g/mol
Molecular Formula C25H28N2O6
Exact Mass 452.194737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kRLfiYSbzD
Name (+/-)-[6R*,11AS*,(3Z)]-3-(3,4-DIMETHOXYBENZYLIDENE)-6-ETHYL-8,9-DIMETHOXY-2,3,11,11A-TETRAHYDRO-6H-PYRAZINO-[1,2-B]-ISOQUINOLINE-1,4-DIONE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28N2O6
InChI InChI=1S/C25H28N2O6/c1-6-18-16-13-23(33-5)22(32-4)12-15(16)11-19-24(28)26-17(25(29)27(18)19)9-14-7-8-20(30-2)21(10-14)31-3/h7-10,12-13,18-19H,6,11H2,1-5H3,(H,26,28)/b17-9-/t18-,19+/m1/s1
InChIKey KMTOMJSOKRUCRW-XBHWDRPYSA-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 452.507 g/mol
Solvent CDCl3
Source File Reference UWIR20225