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4,6,16,18-TETRAAZA-11,23-DIMETHYL-5-THIOMETHYL-2,8,14,20-TETRAOXACALIX-[4]-ARENE
SpectraBase Compound ID IAnpqvF6xTV
InChI InChI=1S/C23H18N4O4S/c1-13-4-15-8-17(6-13)30-21-11-22(27-23(26-21)32-3)31-18-7-14(2)5-16(9-18)29-20-10-19(28-15)24-12-25-20/h4-12H,1-3H3
InChIKey LIFNMYNPPYIMLO-UHFFFAOYSA-N
Mol Weight 446.48 g/mol
Molecular Formula C23H18N4O4S
Exact Mass 446.104876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KEPQ4csv8d
Name 4,6,16,18-TETRAAZA-11,23-DIMETHYL-5-THIOMETHYL-2,8,14,20-TETRAOXACALIX-[4]-ARENE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H18N4O4S
InChI InChI=1S/C23H18N4O4S/c1-13-4-15-8-17(6-13)30-21-11-22(27-23(26-21)32-3)31-18-7-14(2)5-16(9-18)29-20-10-19(28-15)24-12-25-20/h4-12H,1-3H3
InChIKey LIFNMYNPPYIMLO-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 446.480 g/mol
Sample ID 61708
Solvent CDCl3