| SpectraBase Compound ID | FjPvlbvxQpK |
|---|---|
| InChI | InChI=1S/C21H30NO4.CH4O.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;1-2;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;2H,1H3;1H/q+1;;/p-1/t15-,16-,17-,18+,19-,20+,22?;;/m0../s1 |
| InChIKey | APAOAJWWILSAIO-VVHIMQBMSA-M |
| Mol Weight | 472.42 g/mol |
| Molecular Formula | C22H34BrNO5 |
| Exact Mass | 471.162036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LbJypvGkBaN |
|---|---|
| Name | SCOPOLAMINE-EQ-BU(N)BR-MEOH |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H34BrNO5 |
| InChI | InChI=1S/C21H30NO4.CH4O.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;1-2;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;2H,1H3;1H/q+1;;/p-1/t15-,16-,17-,18+,19-,20+,22?;;/m0../s1 |
| InChIKey | APAOAJWWILSAIO-VVHIMQBMSA-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 | 472.420 g/mol |
| Sample ID | 46087 |
| Solvent | SOLID-STATE |