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2-(2-METHOXYCARBONYL-ETHYL-THIOMETHYL)-DIBENZO-[24]-CROWN-8

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2-(2-METHOXYCARBONYL-ETHYL-THIOMETHYL)-DIBENZO-[24]-CROWN-8
SpectraBase Compound ID JBDaxNF8pMW
InChI InChI=1S/C29H40O10S/c1-31-29(30)8-21-40-23-24-6-7-27-28(22-24)39-20-16-35-12-11-33-14-18-37-26-5-3-2-4-25(26)36-17-13-32-9-10-34-15-19-38-27/h2-7,22H,8-21,23H2,1H3
InChIKey XBYNNKDLCAKPNR-UHFFFAOYSA-N
Mol Weight 580.7 g/mol
Molecular Formula C29H40O10S
Exact Mass 580.234219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E8Ck41TPJKz
Name 2-(2-METHOXYCARBONYL-ETHYL-THIOMETHYL)-DIBENZO-[24]-CROWN-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H40O10S
InChI InChI=1S/C29H40O10S/c1-31-29(30)8-21-40-23-24-6-7-27-28(22-24)39-20-16-35-12-11-33-14-18-37-26-5-3-2-4-25(26)36-17-13-32-9-10-34-15-19-38-27/h2-7,22H,8-21,23H2,1H3
InChIKey XBYNNKDLCAKPNR-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 580.691 g/mol
Solvent CDCl3
Source File Reference UWMS23726