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DIMETHYL-5-[5-[3,6,9,12-TETRAOXA-18-AZABICYCLO-[12.3.1]-OCTADECA-1(18),14,16-TRIEN-16-YL]-2-THIENYL]-ISOPHTHALATE
SpectraBase Compound ID 5wHTQ1h9CFx
InChI InChI=1S/2C27H29NO8S/c2*1-31-26(29)20-11-18(12-21(13-20)27(30)32-2)24-3-4-25(37-24)19-14-22-16-35-9-7-33-5-6-34-8-10-36-17-23(15-19)28-22/h2*3-4,11-15H,5-10,16-17H2,1-2H3
InChIKey IFDKSUUPIIEECS-UHFFFAOYSA-N
Mol Weight 1055.18 g/mol
Molecular Formula C54H58N2O16S2
Exact Mass 1054.322776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4aGXzqNYxKh
Name DIMETHYL-5-[5-[3,6,9,12-TETRAOXA-18-AZABICYCLO-[12.3.1]-OCTADECA-1(18),14,16-TRIEN-16-YL]-2-THIENYL]-ISOPHTHALATE
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H58N2O16S2
InChI InChI=1S/2C27H29NO8S/c2*1-31-26(29)20-11-18(12-21(13-20)27(30)32-2)24-3-4-25(37-24)19-14-22-16-35-9-7-33-5-6-34-8-10-36-17-23(15-19)28-22/h2*3-4,11-15H,5-10,16-17H2,1-2H3
InChIKey IFDKSUUPIIEECS-UHFFFAOYSA-N
Literature Reference Author A.TAHRI,E.CIELEN,K.J.V.AKEN,G.J.HOORNAERT,F.C.DESCHRYVER,N.B OENS
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1739(1999)
Literature Reference DOI 10.1039/a901941c
Molecular Weight 1055.178 g/mol
Solvent CDCl3