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Bilirubin dimethyl ester
SpectraBase Compound ID KZo3jkbsDq3
InChI InChI=1S/C35H40N4O6/c1-9-22-21(6)34(42)39-29(22)16-27-20(5)25(12-14-33(41)45-8)31(37-27)17-30-24(11-13-32(40)44-7)19(4)26(36-30)15-28-18(3)23(10-2)35(43)38-28/h9-10,15-16,36-37H,1-2,11-14,17H2,3-8H3,(H,38,43)(H,39,42)/b28-15+,29-16+
InChIKey UWZUXDQSJUVVTL-QSXCDPBRSA-N
Mol Weight 612.7 g/mol
Molecular Formula C35H40N4O6
Exact Mass 612.294785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lk4kBFFxnT
Name Bilirubin dimethyl ester
CAS Registry Number 19792-68-8
Comments SOLVENT DMSO-D6/CD3OD 63/37
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C35H40N4O6
InChI InChI=1S/C35H40N4O6/c1-9-22-21(6)34(42)39-29(22)16-27-20(5)25(12-14-33(41)45-8)31(37-27)17-30-24(11-13-32(40)44-7)19(4)26(36-30)15-28-18(3)23(10-2)35(43)38-28/h9-10,15-16,36-37H,1-2,11-14,17H2,3-8H3,(H,38,43)(H,39,42)/b28-15+,29-16+
InChIKey UWZUXDQSJUVVTL-QSXCDPBRSA-N
Instrument Name Bruker WM-360
Literature Reference N. Mueller, Magn. Res. Chem. 23, 688 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Mixture