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carduusyne-D ethyl ester
SpectraBase Compound ID BcXFhcUiuaj
InChI InChI=1S/C25H35BrO3/c1-3-5-16-19-23(26)22-24(27)20-17-14-12-10-8-6-7-9-11-13-15-18-21-25(28)29-4-2/h6-7,16,19,22,24,27H,3-5,8,10,12,14,17-18,20-21H2,1-2H3/b7-6+,19-16+,23-22+
InChIKey PREFNHDXWDEDCP-LHQOQIQTSA-N
Mol Weight 463.5 g/mol
Molecular Formula C25H35BrO3
Exact Mass 462.176958 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 96699FoY6wv
Name CARDUUSYNE-D-ETHYLESTER
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H35BrO3
InChI InChI=1S/C25H35BrO3/c1-3-5-16-19-23(26)22-24(27)20-17-14-12-10-8-6-7-9-11-13-15-18-21-25(28)29-4-2/h6-7,16,19,22,24,27H,3-5,8,10,12,14,17-18,20-21H2,1-2H3/b7-6+,19-16+,23-22+
InChIKey PREFNHDXWDEDCP-LHQOQIQTSA-N
Literature Reference Author R.ABARROW,R.J.CAPON
Literature Reference Citation AUSTR.J.CHEM.,47,1901(1994)
Literature Reference DOI 10.1071/ch9941901
Molecular Weight 463.455 g/mol
Solvent CDCl3
Source File Reference UWVP4112