| SpectraBase Compound ID | FYgQwI9GmAs |
|---|---|
| InChI | InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/m1./s1 |
| InChIKey | CXYRUNPLKGGUJF-RAFJPFSSSA-M |
| Mol Weight | 398.3 g/mol |
| Molecular Formula | C18H24BrNO4 |
| Exact Mass | 397.088871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HGISIu2FaF3 |
|---|---|
| Name | SCOPOLAMINE-MEBR |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H24BrNO4 |
| InChI | InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/m1./s1 |
| InChIKey | CXYRUNPLKGGUJF-RAFJPFSSSA-M |
| Literature Reference Author | R.GLASER,D.SHIFTAN |
| Literature Reference Citation | J.ORG.CHEM.,64,9217(1999) |
| Literature Reference DOI | 10.1021/jo9912956 |
| Molecular Weight | 398.297 g/mol |
| Sample ID | 46097 |
| Solvent | D2O |