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8,12-BIS-(PARA-CARBOXYPHENYL)-3,17-DIETHYL-2,7,13,18-TETRAMETHYL-(10H,21H,23H,24H)-BILIN-1,19-DIONE
SpectraBase Compound ID 37gp7JkKpEx
InChI InChI=1S/C41H40N4O6/c1-7-28-20(3)38(46)44-32(28)17-30-22(5)36(24-9-13-26(14-10-24)40(48)49)34(42-30)19-35-37(25-11-15-27(16-12-25)41(50)51)23(6)31(43-35)18-33-29(8-2)21(4)39(47)45-33/h9-18,42-43H,7-8,19H2,1-6H3,(H,44,46)(H,45,47)(H,48,49)(H,50,51)/b32-17-,33-18-
InChIKey JAQQRWNATNORFW-OKEIQFEWSA-N
Mol Weight 684.8 g/mol
Molecular Formula C41H40N4O6
Exact Mass 684.294785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8a5bS4QSpoi
Name 8,12-BIS-(PARA-CARBOXYPHENYL)-3,17-DIETHYL-2,7,13,18-TETRAMETHYL-(10H,21H,23H,24H)-BILIN-1,19-DIONE
Compound Number 1P
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H40N4O6
InChI InChI=1S/C41H40N4O6/c1-7-28-20(3)38(46)44-32(28)17-30-22(5)36(24-9-13-26(14-10-24)40(48)49)34(42-30)19-35-37(25-11-15-27(16-12-25)41(50)51)23(6)31(43-35)18-33-29(8-2)21(4)39(47)45-33/h9-18,42-43H,7-8,19H2,1-6H3,(H,44,46)(H,45,47)(H,48,49)(H,50,51)/b32-17-,33-18-
InChIKey JAQQRWNATNORFW-OKEIQFEWSA-N
Literature Reference Author S.E.BOIADJIEV,D.A.LIGHTNER
Literature Reference Citation J.ORG.CHEM.,68,7591(2003)
Literature Reference DOI 10.1021/jo030091t
Molecular Weight 684.792 g/mol
Solvent DMSO-D6;0.02M
Source File Reference UWLU27369