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KAEAACGWBNYMBA-UHFFFAOYSA-N

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KAEAACGWBNYMBA-UHFFFAOYSA-N
SpectraBase Compound ID BU7BoTrzttu
InChI InChI=1S/C29H30I2O8S2/c1-21-5-17-27(18-6-21)40(34,35)38-30(32)25-13-9-23(10-14-25)29(3,4)24-11-15-26(16-12-24)31(33)39-41(36,37)28-19-7-22(2)8-20-28/h5-20,32-33H,1-4H3
InChIKey KAEAACGWBNYMBA-UHFFFAOYSA-N
Mol Weight 824.48 g/mol
Molecular Formula C29H30I2O8S2
Exact Mass 823.94715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7gj18zEb3je
Name KAEAACGWBNYMBA-UHFFFAOYSA-N
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H30I2O8S2
InChI InChI=1S/C29H30I2O8S2/c1-21-5-17-27(18-6-21)40(34,35)38-30(32)25-13-9-23(10-14-25)29(3,4)24-11-15-26(16-12-24)31(33)39-41(36,37)28-19-7-22(2)8-20-28/h5-20,32-33H,1-4H3
InChIKey KAEAACGWBNYMBA-UHFFFAOYSA-N
Literature Reference Author U.RADHAKRISHNAN,P.J.STANG
Literature Reference Citation J.ORG.CHEM.,68,9209(2003)
Literature Reference DOI 10.1021/jo030246x
Molecular Weight 824.481 g/mol
Solvent CD3OD
Source File Reference UWMS26360