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

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5-(2-(HYDROXYCARBONYL)-ETHYLTHIOMETHYL)-1,3-PHENYLBENZO-[25]-CROWN-8
SpectraBase Compound ID 50whD7kFBgL
InChI InChI=1S/C28H38O10S/c29-28(30)5-18-39-22-23-19-24-21-25(20-23)36-15-11-32-7-9-34-13-17-38-27-4-2-1-3-26(27)37-16-12-33-8-6-31-10-14-35-24/h1-4,19-21H,5-18,22H2,(H,29,30)
InChIKey QFXJQQUSXXYZCW-UHFFFAOYSA-N
Mol Weight 566.7 g/mol
Molecular Formula C28H38O10S
Exact Mass 566.218569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5kAKWCgaBB
Name 5-(2-(HYDROXYCARBONYL)-ETHYLTHIOMETHYL)-1,3-PHENYLBENZO-[25]-CROWN-8
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38O10S
InChI InChI=1S/C28H38O10S/c29-28(30)5-18-39-22-23-19-24-21-25(20-23)36-15-11-32-7-9-34-13-17-38-27-4-2-1-3-26(27)37-16-12-33-8-6-31-10-14-35-24/h1-4,19-21H,5-18,22H2,(H,29,30)
InChIKey QFXJQQUSXXYZCW-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 566.664 g/mol
Solvent CDCl3
Source File Reference UWMS23730