| SpectraBase Compound ID | CWh3b22XTAW |
|---|---|
| InChI | InChI=1S/C23H21N3O7/c27-16-13-32-21(19(18(16)28)33-22(30)15-9-5-2-6-10-15)26-12-11-17(25-23(26)31)24-20(29)14-7-3-1-4-8-14/h1-12,16,18-19,21,27-28H,13H2,(H,24,25,29,31)/t16-,18-,19-,21-/m0/s1 |
| InChIKey | QIUYQLMTHQWUOU-WBKMXMRLSA-N |
| Mol Weight | 451.44 g/mol |
| Molecular Formula | C23H21N3O7 |
| Exact Mass | 451.13795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HDX25fWHaSp |
|---|---|
| Name | QIUYQLMTHQWUOU-WBKMXMRLSA-N |
| Compound Number | 1685 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H21N3O7 |
| InChI | InChI=1S/C23H21N3O7/c27-16-13-32-21(19(18(16)28)33-22(30)15-9-5-2-6-10-15)26-12-11-17(25-23(26)31)24-20(29)14-7-3-1-4-8-14/h1-12,16,18-19,21,27-28H,13H2,(H,24,25,29,31)/t16-,18-,19-,21-/m0/s1 |
| InChIKey | QIUYQLMTHQWUOU-WBKMXMRLSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 451.436 g/mol |
| Sample ID | 2316 |
| Solvent | DMSO-D6 |