| SpectraBase Compound ID | JfZwxLRfkRS |
|---|---|
| InChI | InChI=1S/C22H28N2O3/c1-5-13-12-24-9-8-22-16-7-6-14(26-3)10-17(16)23(2)20(22)18(24)11-15(13)19(22)21(25)27-4/h5-7,10,15,18-20H,8-9,11-12H2,1-4H3/b13-5+/t15-,18-,19+,20-,22-/m0/s1 |
| InChIKey | YNZQTHCMRFWODK-WJOBHLERSA-N |
| Mol Weight | 368.48 g/mol |
| Molecular Formula | C22H28N2O3 |
| Exact Mass | 368.209993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9CmdF1ZZPn4 |
|---|---|
| Name | CABUCRALINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28N2O3 |
| InChI | InChI=1S/C22H28N2O3/c1-5-13-12-24-9-8-22-16-7-6-14(26-3)10-17(16)23(2)20(22)18(24)11-15(13)19(22)21(25)27-4/h5-7,10,15,18-20H,8-9,11-12H2,1-4H3/b13-5+/t15-,18-,19+,20-,22-/m0/s1 |
| InChIKey | YNZQTHCMRFWODK-WJOBHLERSA-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 | 368.476 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26813 |