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1,10,19-trioxa-3,12,21-trithiacycloheptacosane-9,18,27-trione

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1,10,19-trioxa-3,12,21-trithiacycloheptacosane-9,18,27-trione
SpectraBase Compound ID E6wvv1gSQ8N
InChI InChI=1S/C21H36O6S3/c22-19-10-4-1-7-13-28-16-26-20(23)11-5-2-9-15-30-18-27-21(24)12-6-3-8-14-29-17-25-19/h1-18H2
InChIKey HLXAFHPXEKLSLJ-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C21H36O6S3
Exact Mass 480.167402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gjEg1Y3RNO
Name 1,10,19-trioxa-3,12,21-trithiacycloheptacosane-9,18,27-trione
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O6S3
InChI InChI=1S/C21H36O6S3/c22-19-10-4-1-7-13-28-16-26-20(23)11-5-2-9-15-30-18-27-21(24)12-6-3-8-14-29-17-25-19/h1-18H2
InChIKey HLXAFHPXEKLSLJ-UHFFFAOYSA-N
Literature Reference Author Y.LIU,J.C.VEDERAS
Literature Reference Citation J.ORG.CHEM.,61,7856(1996)
Literature Reference DOI 10.1021/jo961438d
Molecular Weight 480.693 g/mol
Solvent CD2Cl2