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4,6,16,18-TETRAAZA-26,28-DIMETHYL-2,8,14,20-TETRAOXACALIX-[4]-ARENE
SpectraBase Compound ID HLCSJ6kWa0A
InChI InChI=1S/C22H16N4O4/c1-13-15-5-3-6-16(13)28-20-10-22(26-12-24-20)30-18-8-4-7-17(14(18)2)29-21-9-19(27-15)23-11-25-21/h3-12H,1-2H3
InChIKey LGFIANLMXRZSBH-UHFFFAOYSA-N
Mol Weight 400.39 g/mol
Molecular Formula C22H16N4O4
Exact Mass 400.117155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80h0Z5AgoCj
Name 4,6,16,18-TETRAAZA-26,28-DIMETHYL-2,8,14,20-TETRAOXACALIX-[4]-ARENE
Compound Number 3I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16N4O4
InChI InChI=1S/C22H16N4O4/c1-13-15-5-3-6-16(13)28-20-10-22(26-12-24-20)30-18-8-4-7-17(14(18)2)29-21-9-19(27-15)23-11-25-21/h3-12H,1-2H3
InChIKey LGFIANLMXRZSBH-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 400.393 g/mol
Sample ID 61711
Solvent CDCl3