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DIMETHYL-5-[5-(21-[5-[3,5-DI-(METHOXYCARBONYL)-PHENYL]-2-THIENYL]-3,6,14,17-TETRAOXA-23,24-DIAZATRICYCLO-[17.3.1.1(8,12)]-TETRACOSA-1(23),8(24),9
SpectraBase Compound ID 1Om5gP9xwf5
InChI InChI=1S/C46H42N2O12S2/c1-53-43(49)31-13-27(14-32(17-31)44(50)54-2)39-5-7-41(61-39)29-19-35-23-57-9-11-59-25-37-21-30(22-38(48-37)26-60-12-10-58-24-36(20-29)47-35)42-8-6-40(62-42)28-15-33(45(51)55-3)18-34(16-28)46(52)56-4/h5-8,13-22H,9-12,23-26H2,1-4H3
InChIKey HTVNYWKWPMLNLZ-UHFFFAOYSA-N
Mol Weight 879.0 g/mol
Molecular Formula C46H42N2O12S2
Exact Mass 878.217917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6maGmWhQT51
Name DIMETHYL-5-[5-(21-[5-[3,5-DI-(METHOXYCARBONYL)-PHENYL]-2-THIENYL]-3,6,14,17-TETRAOXA-23,24-DIAZATRICYCLO-[17.3.1.1(8,12)]-TETRACOSA-1(23),8(24),9
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H42N2O12S2
InChI InChI=1S/C46H42N2O12S2/c1-53-43(49)31-13-27(14-32(17-31)44(50)54-2)39-5-7-41(61-39)29-19-35-23-57-9-11-59-25-37-21-30(22-38(48-37)26-60-12-10-58-24-36(20-29)47-35)42-8-6-40(62-42)28-15-33(45(51)55-3)18-34(16-28)46(52)56-4/h5-8,13-22H,9-12,23-26H2,1-4H3
InChIKey HTVNYWKWPMLNLZ-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 878.966 g/mol
Solvent DMSO-D6
Source File Reference UWRU10522