| SpectraBase Compound ID | 1qDC5c3iPM |
|---|---|
| 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-/t23-,25+,26+,27-,30-,37-,38-,41+,45-/m0/s1 |
| InChIKey | ATEBXHFBFRCZMA-NZIHZOSTSA-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 | L6q6q3GiKyJ |
|---|---|
| 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-/t23-,25+,26+,27-,30-,37-,38-,41+,45-/m0/s1 |
| InChIKey | ATEBXHFBFRCZMA-NZIHZOSTSA-N |
| Literature Reference Author | E.RUBIO,I.MERINO,A.B.GARCIA,M.P.CABAL,C.RIBAS,M.BAYOD-JASANA DA |
| Literature Reference Citation | MAGN.RES.CHEM.,43,269(2005) |
| Literature Reference DOI | 10.1002/mrc.1545 |
| Molecular Weight | 847.018 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWSI27003 |