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11-Monodechloro-13-demethylisodysidenin

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11-Monodechloro-13-demethylisodysidenin
SpectraBase Compound ID ERa9urP8Gxw
InChI InChI=1S/C16H22Cl5N3O2S/c1-9(14(17)18)6-13(25)24(3)11(7-10(2)16(19,20)21)15(26)23-8-12-22-4-5-27-12/h4-5,9-11,14H,6-8H2,1-3H3,(H,23,26)
InChIKey HRTWOYRCWPBHAL-UHFFFAOYSA-N
Mol Weight 497.7 g/mol
Molecular Formula C16H22Cl5N3O2S
Exact Mass 494.987537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AmjfeCwuGqS
Name 11-MONODECHLORO-13-DEMETHYLISODYSIDENIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22Cl5N3O2S
InChI InChI=1S/C16H22Cl5N3O2S/c1-9(14(17)18)6-13(25)24(3)11(7-10(2)16(19,20)21)15(26)23-8-12-22-4-5-27-12/h4-5,9-11,14H,6-8H2,1-3H3,(H,23,26)
InChIKey HRTWOYRCWPBHAL-UHFFFAOYSA-N
Literature Reference Author K.L.ERICKSON,R.J.WELLS
Literature Reference Citation AUSTR.J.CHEM.,35,31(1982)
Literature Reference DOI 10.1071/ch9820031
Molecular Weight 497.695 g/mol
Solvent CDCl3:D2O
Source File Reference UNIW22022