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ALPHA,ALPHA'-DIFLUOROMESOBILIRUBIN-XIII-ALPHA;8,12-BIS-(2-CARBOXY-2-FLUOROETHYL)-3,17-DIETHYL-2,7,13,18-TETRAMETHYL-10H,21H,23H,24H-BILINE-1,19-DIONE

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ALPHA,ALPHA'-DIFLUOROMESOBILIRUBIN-XIII-ALPHA;8,12-BIS-(2-CARBOXY-2-FLUOROETHYL)-3,17-DIETHYL-2,7,13,18-TETRAMETHYL-10H,21H,23H,24H-BILINE-1,19-DIONE
SpectraBase Compound ID AoqvoF8eWr3
InChI InChI=1S/2C33H38F2N4O6/c2*1-7-18-16(5)30(40)38-26(18)11-24-14(3)20(9-22(34)32(42)43)28(36-24)13-29-21(10-23(35)33(44)45)15(4)25(37-29)12-27-19(8-2)17(6)31(41)39-27/h2*11-12,22-23,36-37H,7-10,13H2,1-6H3,(H,38,40)(H,39,41)(H,42,43)(H,44,45)/b2*26-11-,27-12-
InChIKey HJAOHBUOLPPNNG-PPIRYZDESA-N
Mol Weight 1249.4 g/mol
Molecular Formula C66H76F4N8O12
Exact Mass 1248.551883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JX8APdCjQNc
Name ALPHA,ALPHA'-DIFLUOROMESOBILIRUBIN-XIII-ALPHA;8,12-BIS-(2-CARBOXY-2-FLUOROETHYL)-3,17-DIETHYL-2,7,13,18-TETRAMETHYL-10H,21H,23H,24H-BILINE-1,19-DIONE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H76F4N8O12
InChI InChI=1S/2C33H38F2N4O6/c2*1-7-18-16(5)30(40)38-26(18)11-24-14(3)20(9-22(34)32(42)43)28(36-24)13-29-21(10-23(35)33(44)45)15(4)25(37-29)12-27-19(8-2)17(6)31(41)39-27/h2*11-12,22-23,36-37H,7-10,13H2,1-6H3,(H,38,40)(H,39,41)(H,42,43)(H,44,45)/b2*26-11-,27-12-
InChIKey HJAOHBUOLPPNNG-PPIRYZDESA-N
Literature Reference Author S.E.BOIADJIEV,D.A.LIGHTNER
Literature Reference Citation J.ORG.CHEM.,62,399(1997)
Literature Reference DOI 10.1021/jo961503j
Molecular Weight 1249.369 g/mol
Solvent DMSO-D6
Source File Reference UWCS23132