![(7,8-BIS-BENZYLOXYMETHYL-3-METHYL-2-AZA-BICYCLO-[2.2.2]-OCT-5-EN-2-YL)-PHENYL-METHANONE;MINOR-ISOMER](/api/spectrum/5YTUY9nBjtl/structure.png?h=300&w=458 "(7,8-BIS-BENZYLOXYMETHYL-3-METHYL-2-AZA-BICYCLO-[2.2.2]-OCT-5-EN-2-YL)-PHENYL-METHANONE;MINOR-ISOMER")
| SpectraBase Compound ID | 5c8qXqLAbYc |
|---|---|
| InChI | InChI=1S/C31H33NO3/c1-23-27-17-18-30(32(23)31(33)26-15-9-4-10-16-26)29(22-35-20-25-13-7-3-8-14-25)28(27)21-34-19-24-11-5-2-6-12-24/h2-18,23,27-30H,19-22H2,1H3/t23-,27-,28-,29-,30-/m1/s1 |
| InChIKey | HFVJPMFOLFHQAX-XTBAWBFXSA-N |
| Mol Weight | 467.6 g/mol |
| Molecular Formula | C31H33NO3 |
| Exact Mass | 467.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5YTUY9nBjtl |
|---|---|
| Name | (7,8-BIS-BENZYLOXYMETHYL-3-METHYL-2-AZA-BICYCLO-[2.2.2]-OCT-5-EN-2-YL)-PHENYL-METHANONE;MINOR-ISOMER |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H33NO3 |
| InChI | InChI=1S/C31H33NO3/c1-23-27-17-18-30(32(23)31(33)26-15-9-4-10-16-26)29(22-35-20-25-13-7-3-8-14-25)28(27)21-34-19-24-11-5-2-6-12-24/h2-18,23,27-30H,19-22H2,1H3/t23-,27-,28-,29-,30-/m1/s1 |
| InChIKey | HFVJPMFOLFHQAX-XTBAWBFXSA-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 | 467.608 g/mol |
| Sample ID | 41550 |
| Solvent | CDCl3 |