![METHYL-3-METHYL-2-(METHYLIMINO-PHENYL-METHYL)-2-AZA-BICYCLO-[2.2.2]-OCT-7-ENE-6-CARBOXYLATE_BF3_COMPLEX](/api/spectrum/Jaaj8Yal7yx/structure.png?h=300&w=458 "METHYL-3-METHYL-2-(METHYLIMINO-PHENYL-METHYL)-2-AZA-BICYCLO-[2.2.2]-OCT-7-ENE-6-CARBOXYLATE_BF3_COMPLEX")
| SpectraBase Compound ID | kyqClTAmDB |
|---|---|
| InChI | InChI=1S/2C18H22BF3N2O2/c2*1-12-14-9-10-16(15(11-14)18(25)26-3)24(12)17(23(2)19(20,21)22)13-7-5-4-6-8-13/h2*4-10,12,14-16H,11H2,1-3H3/t2*12-,14-,15+,16+/m11/s1 |
| InChIKey | IQMFXFQNGVBJBZ-FOTQOHMESA-N |
| Mol Weight | 732.4 g/mol |
| Molecular Formula | C36H44B2F6N4O4 |
| Exact Mass | 732.345285 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jaaj8Yal7yx |
|---|---|
| Name | METHYL-3-METHYL-2-(METHYLIMINO-PHENYL-METHYL)-2-AZA-BICYCLO-[2.2.2]-OCT-7-ENE-6-CARBOXYLATE_BF3_COMPLEX |
| Compound Number | 3B*BF3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H44B2F6N4O4 |
| InChI | InChI=1S/2C18H22BF3N2O2/c2*1-12-14-9-10-16(15(11-14)18(25)26-3)24(12)17(23(2)19(20,21)22)13-7-5-4-6-8-13/h2*4-10,12,14-16H,11H2,1-3H3/t2*12-,14-,15+,16+/m11/s1 |
| InChIKey | IQMFXFQNGVBJBZ-FOTQOHMESA-N |
| Literature Reference Author | M.SALES,A.B.CHARETTE |
| Literature Reference Citation | ORG.LETTERS,7,5773(2005) |
| Literature Reference DOI | 10.1021/ol052436v |
| Molecular Weight | 732.380 g/mol |
| Sample ID | 41544 |
| Solvent | CDCl3 |