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4,6,16,18-TETRAAZA-5,17-DIPHENYL-2,8,14,20-TETRATHIACALIX-[4]-ARENE
SpectraBase Compound ID 9xuBv2k18i2
InChI InChI=1S/C32H20N4S4/c1-3-9-21(10-4-1)31-33-27-19-28(34-31)38-24-14-8-16-26(18-24)40-30-20-29(39-25-15-7-13-23(17-25)37-27)35-32(36-30)22-11-5-2-6-12-22/h1-20H
InChIKey YKLSKCYOTDDIGX-UHFFFAOYSA-N
Mol Weight 588.8 g/mol
Molecular Formula C32H20N4S4
Exact Mass 588.057081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 52Fr5PZUjAh
Name 4,6,16,18-TETRAAZA-5,17-DIPHENYL-2,8,14,20-TETRATHIACALIX-[4]-ARENE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H20N4S4
InChI InChI=1S/C32H20N4S4/c1-3-9-21(10-4-1)31-33-27-19-28(34-31)38-24-14-8-16-26(18-24)40-30-20-29(39-25-15-7-13-23(17-25)37-27)35-32(36-30)22-11-5-2-6-12-22/h1-20H
InChIKey YKLSKCYOTDDIGX-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 588.778 g/mol
Sample ID 61712
Solvent CDCl3