| SpectraBase Compound ID | 9lY4DYrQhhw |
|---|---|
| InChI | InChI=1S/C25H35BrO2/c1-3-5-18-21-24(26)22-19-16-14-12-10-8-6-7-9-11-13-15-17-20-23-25(27)28-4-2/h7,9,18,21-22H,3-6,8,10,12,14,16,19-20,23H2,1-2H3/b9-7+,21-18+,24-22+ |
| InChIKey | GHVRQXGOEFTAJV-YCLUIVRGSA-N |
| Mol Weight | 447.5 g/mol |
| Molecular Formula | C25H35BrO2 |
| Exact Mass | 446.182043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | guOGqVOJoJ |
|---|---|
| Name | CARDUUSYNE-B-ETHYLESTER |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H35BrO2 |
| InChI | InChI=1S/C25H35BrO2/c1-3-5-18-21-24(26)22-19-16-14-12-10-8-6-7-9-11-13-15-17-20-23-25(27)28-4-2/h7,9,18,21-22H,3-6,8,10,12,14,16,19-20,23H2,1-2H3/b9-7+,21-18+,24-22+ |
| InChIKey | GHVRQXGOEFTAJV-YCLUIVRGSA-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 | 447.456 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWVP4115 |