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2,11,20,29-Tetrathia[3(4)](1,2)(1,4)(1,2)(1,4)cyclophane

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2,11,20,29-Tetrathia[3(4)](1,2)(1,4)(1,2)(1,4)cyclophane
SpectraBase Compound ID JSTEVN3ZWGI
InChI InChI=1S/C32H32S4/c1-2-26-4-3-25(1)17-33-19-27-5-7-29(8-6-27)21-35-23-31-13-15-32(16-14-31)24-36-22-30-11-9-28(10-12-30)20-34-18-26/h1-16H,17-24H2
InChIKey YLKBJKGUAZCICR-UHFFFAOYSA-N
Mol Weight 544.8 g/mol
Molecular Formula C32H32S4
Exact Mass 544.138686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4OIHIqEzkTx
Name 2,11,20,29-Tetrathia[3(4)](1,2)(1,4)(1,2)(1,4)cyclophane
Comments Computed using HOSE algorithm
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Exact Mass 544.138685726 u
Formula C32H32S4
InChI InChI=1S/C32H32S4/c1-2-26-4-3-25(1)17-33-19-27-5-7-29(8-6-27)21-35-23-31-13-15-32(16-14-31)24-36-22-30-11-9-28(10-12-30)20-34-18-26/h1-16H,17-24H2
InChIKey YLKBJKGUAZCICR-UHFFFAOYSA-N
Molecular Weight 544.848 g/mol
SMILES C1SCC=2C=CC(CSCC=3C=CC(CSCC4=CC=C(CSCC5=CC=C1C=C5)C=C4)=CC3)=CC2