| SpectraBase Compound ID | BcXFhcUiuaj |
|---|---|
| InChI | InChI=1S/C25H35BrO3/c1-3-5-16-19-23(26)22-24(27)20-17-14-12-10-8-6-7-9-11-13-15-18-21-25(28)29-4-2/h6-7,16,19,22,24,27H,3-5,8,10,12,14,17-18,20-21H2,1-2H3/b7-6+,19-16+,23-22+ |
| InChIKey | PREFNHDXWDEDCP-LHQOQIQTSA-N |
| Mol Weight | 463.5 g/mol |
| Molecular Formula | C25H35BrO3 |
| Exact Mass | 462.176958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96699FoY6wv |
|---|---|
| Name | CARDUUSYNE-D-ETHYLESTER |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H35BrO3 |
| InChI | InChI=1S/C25H35BrO3/c1-3-5-16-19-23(26)22-24(27)20-17-14-12-10-8-6-7-9-11-13-15-18-21-25(28)29-4-2/h6-7,16,19,22,24,27H,3-5,8,10,12,14,17-18,20-21H2,1-2H3/b7-6+,19-16+,23-22+ |
| InChIKey | PREFNHDXWDEDCP-LHQOQIQTSA-N |
| Literature Reference Author | R.ABARROW,R.J.CAPON |
| Literature Reference Citation | AUSTR.J.CHEM.,47,1901(1994) |
| Literature Reference DOI | 10.1071/ch9941901 |
| Molecular Weight | 463.455 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP4112 |