| SpectraBase Compound ID | 77aacaOOChQ |
|---|---|
| InChI | InChI=1S/C21H30NO4.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;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15-,16-,17-,18+,19-,20+,22?;/m0./s1 |
| InChIKey | HOZOZZFCZRXYEK-WUCSTSDISA-M |
| Mol Weight | 440.38 g/mol |
| Molecular Formula | C21H30BrNO4 |
| Exact Mass | 439.135821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ONkqsfTivu |
|---|---|
| Name | SCOPOLAMINE-EQ-BU(N)BR |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30BrNO4 |
| InChI | InChI=1S/C21H30NO4.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;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15-,16-,17-,18+,19-,20+,22?;/m0./s1 |
| InChIKey | HOZOZZFCZRXYEK-WUCSTSDISA-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 | 440.378 g/mol |
| Sample ID | 46095 |
| Solvent | CDCl3 |