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3,17-DIETHYL-8,12-BIS-(PARA-ISOBUTOXYCARBONYLPHENYL)-2,7,13,18-TETRAMETHYL-(21H,24H)-BILIN-1,19-DIONE
SpectraBase Compound ID 3m981yCSfN7
InChI InChI=1S/C49H54N4O6/c1-11-36-28(7)46(54)52-40(36)21-38-30(9)44(32-13-17-34(18-14-32)48(56)58-24-26(3)4)42(50-38)23-43-45(33-15-19-35(20-16-33)49(57)59-25-27(5)6)31(10)39(51-43)22-41-37(12-2)29(8)47(55)53-41/h13-23,26-27,50H,11-12,24-25H2,1-10H3,(H,52,54)(H,53,55)/b40-21-,41-22-,43-23-
InChIKey COEDCKZADNVEAF-LUTLGLOWSA-N
Mol Weight 795.0 g/mol
Molecular Formula C49H54N4O6
Exact Mass 794.404335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBpxxxLzDRI
Name 3,17-DIETHYL-8,12-BIS-(PARA-ISOBUTOXYCARBONYLPHENYL)-2,7,13,18-TETRAMETHYL-(21H,24H)-BILIN-1,19-DIONE
Compound Number 3P
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H54N4O6
InChI InChI=1S/C49H54N4O6/c1-11-36-28(7)46(54)52-40(36)21-38-30(9)44(32-13-17-34(18-14-32)48(56)58-24-26(3)4)42(50-38)23-43-45(33-15-19-35(20-16-33)49(57)59-25-27(5)6)31(10)39(51-43)22-41-37(12-2)29(8)47(55)53-41/h13-23,26-27,50H,11-12,24-25H2,1-10H3,(H,52,54)(H,53,55)/b40-21-,41-22-,43-23-
InChIKey COEDCKZADNVEAF-LUTLGLOWSA-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 794.991 g/mol
Solvent CDCl3
Source File Reference UWLU27379