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SCOPOLAMINE-AX-BU(N)BR
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3cNNd6AQYD
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 46099
Solvent D2O