| SpectraBase Compound ID | 8eL3NBoFZDo |
|---|---|
| InChI | InChI=1S/C21H22F5NO.C21H27NO.2ClH.Ti/c1-20(2,3)11-7-10(19(28)12(8-11)21(4,5)6)9-27-18-16(25)14(23)13(22)15(24)17(18)26;1-20(2,3)16-12-15(14-22-17-10-8-7-9-11-17)19(23)18(13-16)21(4,5)6;;;/h7-9,28H,1-6H3;7-14,23H,1-6H3;2*1H;/q;;;;+4/p-4 |
| InChIKey | HFXRTCKVHVPOHO-UHFFFAOYSA-J |
| Mol Weight | 825.6 g/mol |
| Molecular Formula | C42H47Cl2F5N2O2Ti |
| Exact Mass | 824.241416 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LAnnavIsnOQ |
|---|---|
| Name | L1L9TICL2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H47Cl2F5N2O2Ti |
| InChI | InChI=1S/C21H22F5NO.C21H27NO.2ClH.Ti/c1-20(2,3)11-7-10(19(28)12(8-11)21(4,5)6)9-27-18-16(25)14(23)13(22)15(24)17(18)26;1-20(2,3)16-12-15(14-22-17-10-8-7-9-11-17)19(23)18(13-16)21(4,5)6;;;/h7-9,28H,1-6H3;7-14,23H,1-6H3;2*1H;/q;;;;+4/p-4 |
| InChIKey | HFXRTCKVHVPOHO-UHFFFAOYSA-J |
| Literature Reference Author | A.F.MASON,G.W.COATES |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,10798(2004) |
| Literature Reference DOI | 10.1021/ja047236d |
| Molecular Weight | 825.625 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN32472 |