| 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
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| SpectraBase Spectrum ID | 1NfSA4oWVJ1 |
|---|---|
| Name | Bilirubin dimethyl ester |
| CAS Registry Number | 19792-68-8 |
| 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 | Varian XL-100 |
| Literature Reference | V. Wray, A. Grossauer, B. Gruening, J. Chem. Soc. Perkin II 1558 (1979). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CD2Cl2 |