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DIMETHYL-5-[5-[3,6,9,12,15-PENTAOXA-21-AZABICYCLO-[15.3.1]-HENICOSA-1(21),17,19-TRIEN-19-YL]-2-THIENYL]-ISOPHTHALATE
SpectraBase Compound ID El1twpqrUpG
InChI InChI=1S/C29H33NO9S/c1-33-28(31)22-13-20(14-23(15-22)29(32)34-2)26-3-4-27(40-26)21-16-24-18-38-11-9-36-7-5-35-6-8-37-10-12-39-19-25(17-21)30-24/h3-4,13-17H,5-12,18-19H2,1-2H3
InChIKey BKOULVYSZKZLNT-UHFFFAOYSA-N
Mol Weight 571.6 g/mol
Molecular Formula C29H33NO9S
Exact Mass 571.187603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9NqxBOFWyz
Name DIMETHYL-5-[5-[3,6,9,12,15-PENTAOXA-21-AZABICYCLO-[15.3.1]-HENICOSA-1(21),17,19-TRIEN-19-YL]-2-THIENYL]-ISOPHTHALATE
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H33NO9S
InChI InChI=1S/C29H33NO9S/c1-33-28(31)22-13-20(14-23(15-22)29(32)34-2)26-3-4-27(40-26)21-16-24-18-38-11-9-36-7-5-35-6-8-37-10-12-39-19-25(17-21)30-24/h3-4,13-17H,5-12,18-19H2,1-2H3
InChIKey BKOULVYSZKZLNT-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 571.642 g/mol
Solvent CDCl3