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DIMETHYL-5-[5-(2,3,5,6,8,9,11,12-OCTAHYDRO-1,4,7,10,13-BENZOPENTAOXACYCLOPENTADECIN-15-YL)-2-THIENYL]-ISOPHTHALATE
SpectraBase Compound ID 2DvcwmVmxqe
InChI InChI=1S/C28H30O9S/c1-31-27(29)21-15-20(16-22(17-21)28(30)32-2)26-6-5-25(38-26)19-3-4-23-24(18-19)37-14-12-35-10-8-33-7-9-34-11-13-36-23/h3-6,15-18H,7-14H2,1-2H3
InChIKey YRTQYCZNZQNMGB-UHFFFAOYSA-N
Mol Weight 542.6 g/mol
Molecular Formula C28H30O9S
Exact Mass 542.161054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zbAIjDzXdd
Name DIMETHYL-5-[5-(2,3,5,6,8,9,11,12-OCTAHYDRO-1,4,7,10,13-BENZOPENTAOXACYCLOPENTADECIN-15-YL)-2-THIENYL]-ISOPHTHALATE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30O9S
InChI InChI=1S/C28H30O9S/c1-31-27(29)21-15-20(16-22(17-21)28(30)32-2)26-6-5-25(38-26)19-3-4-23-24(18-19)37-14-12-35-10-8-33-7-9-34-11-13-36-23/h3-6,15-18H,7-14H2,1-2H3
InChIKey YRTQYCZNZQNMGB-UHFFFAOYSA-N
Literature Reference Author E.CIELEN,A.TAHRI,K.VERHEYEN,G.J.HOORNAERT,F.C.DESCHRYVER,N.B OENS
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1573(1998)
Literature Reference DOI 10.1039/a802183j
Molecular Weight 542.601 g/mol
Solvent CDCl3
Source File Reference UWRU12279