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BENZO-(5-METHANESULFONYLOXYMETHYL-META-PHENYLENE)-[25]-CROWN-8
SpectraBase Compound ID CFd4Ol0Szx4
InChI InChI=1S/C26H36O11S/c1-38(27,28)37-21-22-18-23-20-24(19-22)34-15-11-30-7-9-32-13-17-36-26-5-3-2-4-25(26)35-16-12-31-8-6-29-10-14-33-23/h2-5,18-20H,6-17,21H2,1H3
InChIKey KHIYFDJWLFRFOG-UHFFFAOYSA-N
Mol Weight 556.6 g/mol
Molecular Formula C26H36O11S
Exact Mass 556.197833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HiLAoacTV41
Name BENZO-(5-METHANESULFONYLOXYMETHYL-META-PHENYLENE)-[25]-CROWN-8
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36O11S
InChI InChI=1S/C26H36O11S/c1-38(27,28)37-21-22-18-23-20-24(19-22)34-15-11-30-7-9-32-13-17-36-26-5-3-2-4-25(26)35-16-12-31-8-6-29-10-14-33-23/h2-5,18-20H,6-17,21H2,1H3
InChIKey KHIYFDJWLFRFOG-UHFFFAOYSA-N
Literature Reference Author D.A.FULTON,S.J.CANTRILL,J.F.STODDART
Literature Reference Citation J.ORG.CHEM.,67,7968(2002)
Literature Reference DOI 10.1021/jo0110799
Molecular Weight 556.625 g/mol
Solvent CDCl3
Source File Reference UWMS23728