SpectraBase Compound ID | 77aacaOOChQ |
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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 |
SpectraBase Spectrum ID | C2qt6Df8TZL |
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Name | SCOPOLAMINE-AX-BU(N)BR |
Compound Number | 8 |
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 | 46098 |
Solvent | CDCl3 |