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IGENBEDVEDHSIT-UHFFFAOYSA-N
SpectraBase Compound ID AFg90iDCJPV
InChI InChI=1S/C31H14OS5/c1-3-22-4-5-23(33-22)6-7-24-8-9-25(34-24)10-11-26-12-13-27(35-26)14-15-28-16-17-29(36-28)18-19-30-20-21-31(32-2)37-30/h1,4-5,8-9,12-13,16-17,20-21H,2H3
InChIKey IGENBEDVEDHSIT-UHFFFAOYSA-N
Mol Weight 562.8 g/mol
Molecular Formula C31H14OS5
Exact Mass 561.964821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DUbCJHcCfl
Name IGENBEDVEDHSIT-UHFFFAOYSA-N
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H14OS5
InChI InChI=1S/C31H14OS5/c1-3-22-4-5-23(33-22)6-7-24-8-9-25(34-24)10-11-26-12-13-27(35-26)14-15-28-16-17-29(36-28)18-19-30-20-21-31(32-2)37-30/h1,4-5,8-9,12-13,16-17,20-21H,2H3
InChIKey IGENBEDVEDHSIT-UHFFFAOYSA-N
Literature Reference Author H.MEIER,B.MUEHLING,A.OEHLHOF,S.THEISINGER,E.KIRSTEN
Literature Reference Citation EUR.J.ORG.CHEM.,405(2006)
Molecular Weight 562.752 g/mol
Sample ID 42933
Solvent CDCl3