SpectraBase Compound ID | 7sglu81ie2C |
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InChI | InChI=1S/C21H22F5NO.C21H25F2NO.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)14-7-13(19(25)18(8-14)21(4,5)6)12-24-17-10-15(22)9-16(23)11-17;;;/h7-9,28H,1-6H3;7-12,25H,1-6H3;2*1H;/q;;;;+4/p-4 |
InChIKey | YLNPAHXNBSCQIY-UHFFFAOYSA-J |
Mol Weight | 861.6 g/mol |
Molecular Formula | C42H45Cl2F7N2O2Ti |
Exact Mass | 860.222572 g/mol |
SpectraBase Spectrum ID | 15VbJNN2h4T |
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Name | L4L9TICL2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C42H45Cl2F7N2O2Ti |
InChI | InChI=1S/C21H22F5NO.C21H25F2NO.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)14-7-13(19(25)18(8-14)21(4,5)6)12-24-17-10-15(22)9-16(23)11-17;;;/h7-9,28H,1-6H3;7-12,25H,1-6H3;2*1H;/q;;;;+4/p-4 |
InChIKey | YLNPAHXNBSCQIY-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 | UWVN32469 |