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3,17-DIETHYL-8,12-BIS-(ORTHO-METHOXYCARBONYLPHENYL)-2,7,13,18-TETRAMETHYL-(10H,21H,23H,24H)-BILIN-1,19-DIONE
SpectraBase Compound ID 2iZWGCUChkb
InChI InChI=1S/2C43H44N4O6/c2*1-9-26-22(3)40(48)46-34(26)19-32-24(5)38(28-15-11-13-17-30(28)42(50)52-7)36(44-32)21-37-39(29-16-12-14-18-31(29)43(51)53-8)25(6)33(45-37)20-35-27(10-2)23(4)41(49)47-35/h2*11-20,44-45H,9-10,21H2,1-8H3,(H,46,48)(H,47,49)/b2*34-19-,35-20+
InChIKey AGCGXEJMPGBNBQ-NZXAJQSJSA-N
Mol Weight 1425.7 g/mol
Molecular Formula C86H88N8O12
Exact Mass 1424.65217 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gGRs6Ir0UW
Name 3,17-DIETHYL-8,12-BIS-(ORTHO-METHOXYCARBONYLPHENYL)-2,7,13,18-TETRAMETHYL-(10H,21H,23H,24H)-BILIN-1,19-DIONE
Compound Number 2O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C86H88N8O12
InChI InChI=1S/2C43H44N4O6/c2*1-9-26-22(3)40(48)46-34(26)19-32-24(5)38(28-15-11-13-17-30(28)42(50)52-7)36(44-32)21-37-39(29-16-12-14-18-31(29)43(51)53-8)25(6)33(45-37)20-35-27(10-2)23(4)41(49)47-35/h2*11-20,44-45H,9-10,21H2,1-8H3,(H,46,48)(H,47,49)/b2*34-19-,35-20+
InChIKey AGCGXEJMPGBNBQ-NZXAJQSJSA-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 1425.691 g/mol
Solvent DMSO-D6;0.02M
Source File Reference UWLU27370