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6-(6',7'-DIACETOXY-2'-METHYL-1',2',3',4'-TETRAHYDROISOQUINOLIN-1'-YL)-FURO-[3,4-E]-1,3-BENZODIOXOL-8(6H)-ONE
SpectraBase Compound ID HQ4sKPANE7O
InChI InChI=1S/C23H21NO8/c1-11(25)30-17-8-13-6-7-24(3)20(15(13)9-18(17)31-12(2)26)21-14-4-5-16-22(29-10-28-16)19(14)23(27)32-21/h4-5,8-9,20-21H,6-7,10H2,1-3H3/t20-,21-/m1/s1
InChIKey XDCQGODDCZHHCU-NHCUHLMSSA-N
Mol Weight 439.42 g/mol
Molecular Formula C23H21NO8
Exact Mass 439.126717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IzcgmW4Rphs
Name 6-(6',7'-DIACETOXY-2'-METHYL-1',2',3',4'-TETRAHYDROISOQUINOLIN-1'-YL)-FURO-[3,4-E]-1,3-BENZODIOXOL-8(6H)-ONE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21NO8
InChI InChI=1S/C23H21NO8/c1-11(25)30-17-8-13-6-7-24(3)20(15(13)9-18(17)31-12(2)26)21-14-4-5-16-22(29-10-28-16)19(14)23(27)32-21/h4-5,8-9,20-21H,6-7,10H2,1-3H3/t20-,21-/m1/s1
InChIKey XDCQGODDCZHHCU-NHCUHLMSSA-N
Literature Reference Author R.D.ALLAN,C.APOSTOPOULOS
Literature Reference Citation AUSTR.J.CHEM.,43,1259(1990)
Literature Reference DOI 10.1071/ch9901259
Molecular Weight 439.422 g/mol
Solvent D2O:DIOXANE
Source File Reference UWED10086