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4,6,16,18-TETRAAZA-11,23-DIMETHYL-5,17-DI-(THIOMETHYL)-2,8,14,20-TETRAOXACALIX-[4]-ARENE
SpectraBase Compound ID CDod7LTHOIG
InChI InChI=1S/C24H20N4O4S2/c1-13-5-15-9-16(6-13)30-20-12-22(28-24(26-20)34-4)32-18-8-14(2)7-17(10-18)31-21-11-19(29-15)25-23(27-21)33-3/h5-12H,1-4H3
InChIKey ITTWXVIHAWPTRV-UHFFFAOYSA-N
Mol Weight 492.57 g/mol
Molecular Formula C24H20N4O4S2
Exact Mass 492.092597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SXHAPVcBYZ
Name 4,6,16,18-TETRAAZA-11,23-DIMETHYL-5,17-DI-(THIOMETHYL)-2,8,14,20-TETRAOXACALIX-[4]-ARENE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H20N4O4S2
InChI InChI=1S/C24H20N4O4S2/c1-13-5-15-9-16(6-13)30-20-12-22(28-24(26-20)34-4)32-18-8-14(2)7-17(10-18)31-21-11-19(29-15)25-23(27-21)33-3/h5-12H,1-4H3
InChIKey ITTWXVIHAWPTRV-UHFFFAOYSA-N
Literature Reference Author W.MAES,W.V.ROSSOM,K.V.HECKE,L.V.MEERVELT,W.DEHAEN
Literature Reference Citation ORG.LETTERS,8,4161(2006)
Literature Reference DOI 10.1021/ol0617446
Molecular Weight 492.567 g/mol
Sample ID 61707
Solvent CDCl3