| SpectraBase Compound ID | 9mdAd9AATI8 |
|---|---|
| InChI | InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14- |
| InChIKey | ATEBXHFBFRCZMA-NEDZDATGSA-N |
| Mol Weight | 847.0 g/mol |
| Molecular Formula | C46H62N4O11 |
| Exact Mass | 846.441509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BzzEMFgL1yf |
|---|---|
| Name | RIFABUTIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H62N4O11 |
| InChI | InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14- |
| InChIKey | ATEBXHFBFRCZMA-NEDZDATGSA-N |
| Literature Reference Author | L.SANTOS,F.FANT,M.A.MEDEIROS,F.A.M.BORREMANS,M.C.COSTA,M.J.M .CURTO |
| Literature Reference Citation | MAGN.RES.CHEM.,38,937(2000) |
| Literature Reference DOI | 10.1002/1097-458x(200011)38:11<937::aid-mrc761>3.3.co;2-l |
| Molecular Weight | 847.018 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI3694 |