| SpectraBase Compound ID | DgclTVbgfNu |
|---|---|
| InChI | InChI=1S/C22H28N2O4/c1-23-17-10-14(27-2)4-5-16(17)22-7-8-24-12-13(6-9-25)15(11-18(24)20(22)23)19(22)21(26)28-3/h4-6,10,15,18-20,25H,7-9,11-12H2,1-3H3/b13-6+/t15-,18-,19+,20-,22-/m0/s1 |
| InChIKey | ZQACHVNLAJQQPP-IMNVCHATSA-N |
| Mol Weight | 384.48 g/mol |
| Molecular Formula | C22H28N2O4 |
| Exact Mass | 384.204907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GXgKXl4ECMW |
|---|---|
| Name | 18-HYDROXYCABUCRALINE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28N2O4 |
| InChI | InChI=1S/C22H28N2O4/c1-23-17-10-14(27-2)4-5-16(17)22-7-8-24-12-13(6-9-25)15(11-18(24)20(22)23)19(22)21(26)28-3/h4-6,10,15,18-20,25H,7-9,11-12H2,1-3H3/b13-6+/t15-,18-,19+,20-,22-/m0/s1 |
| InChIKey | ZQACHVNLAJQQPP-IMNVCHATSA-N |
| Literature Reference Author | A.M.MORFAUX,P.MOUTON,G.MASSIOT,L.L.MEN-OLIVIER |
| Literature Reference Citation | PHYTOCHEM.,29,3345(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80212-Y |
| Molecular Weight | 384.475 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26812 |