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AVDUYOJPBSBNCQ-PSJNWGMYSA-N
SpectraBase Compound ID KzS0p5MJw3K
InChI InChI=1S/C20H22N2O5S2/c1-28-19-8-11-4-3-5-13(23)15(11)21(19)18(26)20(29-2)9-12-10-27-7-6-14(24)16(12)22(20)17(19)25/h3-7,10,13-16,23-24H,8-9H2,1-2H3/t13-,14-,15-,16-,19+,20+/m0/s1
InChIKey AVDUYOJPBSBNCQ-PSJNWGMYSA-N
Mol Weight 434.53 g/mol
Molecular Formula C20H22N2O5S2
Exact Mass 434.097014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3dOY9hsj36
Name AVDUYOJPBSBNCQ-PSJNWGMYSA-N
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22N2O5S2
InChI InChI=1S/C20H22N2O5S2/c1-28-19-8-11-4-3-5-13(23)15(11)21(19)18(26)20(29-2)9-12-10-27-7-6-14(24)16(12)22(20)17(19)25/h3-7,10,13-16,23-24H,8-9H2,1-2H3/t13-,14-,15-,16-,19+,20+/m0/s1
InChIKey AVDUYOJPBSBNCQ-PSJNWGMYSA-N
Literature Reference Author M.CHINWORRUNGSEE,P.KITTAKOOP,J.SAENBOONRUENG,P.KONGSAEREE,Y. THEBTARANONTH
Literature Reference Citation J.NAT.PROD.,69,1404(2006)
Literature Reference DOI 10.1021/np0601197
Molecular Weight 434.525 g/mol
Solvent CDCl3
Source File Reference UWMZ15757