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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

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