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N,N'-(6,6,12,12-TETRAHEXYL-3,9-DINITRO-6,12-DIHYDROINDENO-[1,2-B]-FLUORENE-2,8-DIYL)-DIACETAMIDE
SpectraBase Compound ID 3L6yBYYXBTR
InChI InChI=1S/C48H66N4O6/c1-7-11-15-19-23-47(24-20-16-12-8-2)39-27-36-38-30-46(52(57)58)44(50-34(6)54)32-42(38)48(25-21-17-13-9-3,26-22-18-14-10-4)40(36)28-35(39)37-29-45(51(55)56)43(31-41(37)47)49-33(5)53/h27-32H,7-26H2,1-6H3,(H,49,53)(H,50,54)
InChIKey CMLISULXEXYDJV-UHFFFAOYSA-N
Mol Weight 795.1 g/mol
Molecular Formula C48H66N4O6
Exact Mass 794.498236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5F1ciPEE7n
Name N,N'-(6,6,12,12-TETRAHEXYL-3,9-DINITRO-6,12-DIHYDROINDENO-[1,2-B]-FLUORENE-2,8-DIYL)-DIACETAMIDE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H66N4O6
InChI InChI=1S/C48H66N4O6/c1-7-11-15-19-23-47(24-20-16-12-8-2)39-27-36-38-30-46(52(57)58)44(50-34(6)54)32-42(38)48(25-21-17-13-9-3,26-22-18-14-10-4)40(36)28-35(39)37-29-45(51(55)56)43(31-41(37)47)49-33(5)53/h27-32H,7-26H2,1-6H3,(H,49,53)(H,50,54)
InChIKey CMLISULXEXYDJV-UHFFFAOYSA-N
Literature Reference Author T.C.LIN,B.K.TSAI,Y.Y.LIU,M.Y.TSAI
Literature Reference Citation EUR.J.ORG.CHEM.,2014,6163(2014)
Literature Reference DOI 10.1002/ejoc.201402622
Molecular Weight 795.075 g/mol
Solvent CDCl3
Source File Reference UWLU85385