| SpectraBase Compound ID | GAqSbyMKFdA |
|---|---|
| InChI | InChI=1S/C21H23F4NO.C21H24F3NO.2ClH.Ti/c1-20(2,3)12-7-11(19(27)13(8-12)21(4,5)6)10-26-18-16(24)14(22)9-15(23)17(18)25;1-20(2,3)13-7-12(19(26)15(8-13)21(4,5)6)11-25-18-16(23)9-14(22)10-17(18)24;;;/h7-10,27H,1-6H3;7-11,26H,1-6H3;2*1H;/q;;;;+4/p-4 |
| InChIKey | DWEZRRJWAFCQME-UHFFFAOYSA-J |
| Mol Weight | 861.6 g/mol |
| Molecular Formula | C42H45Cl2F7N2O2Ti |
| Exact Mass | 860.222572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1za1TrCyJp |
|---|---|
| Name | L7L8TICL2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H45Cl2F7N2O2Ti |
| InChI | InChI=1S/C21H23F4NO.C21H24F3NO.2ClH.Ti/c1-20(2,3)12-7-11(19(27)13(8-12)21(4,5)6)10-26-18-16(24)14(22)9-15(23)17(18)25;1-20(2,3)13-7-12(19(26)15(8-13)21(4,5)6)11-25-18-16(23)9-14(22)10-17(18)24;;;/h7-10,27H,1-6H3;7-11,26H,1-6H3;2*1H;/q;;;;+4/p-4 |
| InChIKey | DWEZRRJWAFCQME-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 | 861.606 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN32471 |