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Mesobilirubin-ixa dimethyl ester
SpectraBase Compound ID E03XCWu1uaX
InChI InChI=1S/C35H44N4O6/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/h15-16,36-37H,9-14,17H2,1-8H3,(H,38,43)(H,39,42)/b28-15+,29-16+
InChIKey DKLXQXWGYGLVOZ-QSXCDPBRSA-N
Mol Weight 616.8 g/mol
Molecular Formula C35H44N4O6
Exact Mass 616.326085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8TWKVPKvEiN
Name Mesobilirubin-ixa dimethyl ester
CAS Registry Number 64627-39-0
Comments RECORDED ON A BRUKER WH 300 SPECTROMETER
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Formula C35H44N4O6
InChI InChI=1S/C35H44N4O6/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/h15-16,36-37H,9-14,17H2,1-8H3,(H,38,43)(H,39,42)/b28-15+,29-16+
InChIKey DKLXQXWGYGLVOZ-QSXCDPBRSA-N
Instrument Name see comment
Literature Reference D. Kaplan, G. Navon, Org. Magn. Resonance 17, 79 (1981).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6