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5-(2-(METHOXYCARBONYL)-ETHYLTHIOMETHYL)-1,3-PHENYLBENZO-[25]-CROWN-8

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5-(2-(METHOXYCARBONYL)-ETHYLTHIOMETHYL)-1,3-PHENYLBENZO-[25]-CROWN-8
SpectraBase Compound ID 2dXcLXQhoWP
InChI InChI=1S/C29H40O10S/c1-31-29(30)6-19-40-23-24-20-25-22-26(21-24)37-16-12-33-8-10-35-14-18-39-28-5-3-2-4-27(28)38-17-13-34-9-7-32-11-15-36-25/h2-5,20-22H,6-19,23H2,1H3
InChIKey AIPSXBVLEHRVRV-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 AT0YCocaGNk
Name 5-(2-(METHOXYCARBONYL)-ETHYLTHIOMETHYL)-1,3-PHENYLBENZO-[25]-CROWN-8
Compound Number 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)6-19-40-23-24-20-25-22-26(21-24)37-16-12-33-8-10-35-14-18-39-28-5-3-2-4-27(28)38-17-13-34-9-7-32-11-15-36-25/h2-5,20-22H,6-19,23H2,1H3
InChIKey AIPSXBVLEHRVRV-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 UWMS23729