| SpectraBase Compound ID | ILNqUyiLRGk |
|---|---|
| InChI | InChI=1S/C23H18BrNO7/c1-10-8-14(26)19-15(27)9-16-17(20(19)30-10)13-6-7-25-21(28)18(13)23(31-16)32-22(29)11-2-4-12(24)5-3-11/h2-5,8-9,13,18,23,27H,6-7H2,1H3,(H,25,28)/t13-,18+,23?/m1/s1 |
| InChIKey | XEHUTXRWGYKVEX-XSHMTTBMSA-N |
| Mol Weight | 500.3 g/mol |
| Molecular Formula | C23H18BrNO7 |
| Exact Mass | 499.026665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4NpOUCGPpvh |
|---|---|
| Name | 7'-MONO-(4-BrOMOBENZOYL)-SCHUMANNIFICINE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H18BrNO7 |
| InChI | InChI=1S/C23H18BrNO7/c1-10-8-14(26)19-15(27)9-16-17(20(19)30-10)13-6-7-25-21(28)18(13)23(31-16)32-22(29)11-2-4-12(24)5-3-11/h2-5,8-9,13,18,23,27H,6-7H2,1H3,(H,25,28)/t13-,18+,23?/m1/s1 |
| InChIKey | XEHUTXRWGYKVEX-XSHMTTBMSA-N |
| Literature Reference Author | P.J.HOUGHTON,I.M.OSIBOGUN,T.Z.WOLDEMARIAM,K.JONES |
| Literature Reference Citation | PLANTA.MED.,61,154(1995) |
| Literature Reference DOI | 10.1055/s-2006-958037 |
| Molecular Weight | 500.302 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP664 |