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ALL-EXO-2,3,5,6-TETRAKIS-(PARA-TOLUENESULFONYLOXYMETHYL)-BICYCLO-[2.2.2]-OCTANE

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ALL-EXO-2,3,5,6-TETRAKIS-(PARA-TOLUENESULFONYLOXYMETHYL)-BICYCLO-[2.2.2]-OCTANE
SpectraBase Compound ID 9UHTHknPnvA
InChI InChI=1S/C40H46O12S4/c1-27-5-13-31(14-6-27)53(41,42)49-23-37-35-21-22-36(38(37)24-50-54(43,44)32-15-7-28(2)8-16-32)40(26-52-56(47,48)34-19-11-30(4)12-20-34)39(35)25-51-55(45,46)33-17-9-29(3)10-18-33/h5-20,35-40H,21-26H2,1-4H3/t35-,36+,37+,38-,39-,40+
InChIKey VMIULZXPGLOTNF-VEVYLZSBSA-N
Mol Weight 847.0 g/mol
Molecular Formula C40H46O12S4
Exact Mass 846.187212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RBidqC2jiQ
Name ALL-EXO-2,3,5,6-TETRAKIS-(PARA-TOLUENESULFONYLOXYMETHYL)-BICYCLO-[2.2.2]-OCTANE
Compound Number 9D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46O12S4
InChI InChI=1S/C40H46O12S4/c1-27-5-13-31(14-6-27)53(41,42)49-23-37-35-21-22-36(38(37)24-50-54(43,44)32-15-7-28(2)8-16-32)40(26-52-56(47,48)34-19-11-30(4)12-20-34)39(35)25-51-55(45,46)33-17-9-29(3)10-18-33/h5-20,35-40H,21-26H2,1-4H3/t35-,36+,37+,38-,39-,40+
InChIKey VMIULZXPGLOTNF-VEVYLZSBSA-N
Literature Reference Author H.ATZKERN,F.H.KOEHLER,R.MUELLER
Literature Reference Citation Z.NATURFORSCH.,45B,329(1990)
Molecular Weight 847.038 g/mol
Solvent CDCl3
Source File Reference UWCS10673