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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GceQNJUjFr
Name 2,11,20,29-tetrathia[3(4)](1,2)(1,4)(1,2)(1,4)cyclophane
CAS Registry Number 60742-99-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 C1SCc2ccc(CSCc3ccc(CSCc4ccc(CSCc5ccc1cc5)cc4)cc3)cc2
SPLASH splash10-0k9i-0910010000-0441207c747005594594
Source of Spectrum C-98-5727-0
Synonyms 3,10,17,24-Tetrathiapentacyclo[24.2.2.2(5,8).2(12,15).2(19,22)]hexatriaconta-5,7,12,14,19,21,26,28,29,31,33,35-dodecaene 2,11,20,29-Tetrasulfonium[3.3.3.3]paracyclophane 3,10,17,24-tetrathiapentacyclo[24.2.2.2(5,8).2(12,15).2(19,22)]hexatriaconta-1(28),5,7,12,14,19,21,26,29,31,33,35-dodecaene
Wiley ID 1405077