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8,20-Dithiapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-3,5,10,12,15,17,22,24,25,27,29,31-dodecaene
SpectraBase Compound ID F4IEqLy9gKB
InChI InChI=1S/C30H28S2/c1-9-27-10-2-23(1)17-24-3-11-28(12-4-24)21-32-22-30-15-7-26(8-16-30)18-25-5-13-29(14-6-25)20-31-19-27/h1-16H,17-22H2
InChIKey JWWCGDWIIJFQKT-UHFFFAOYSA-N
Mol Weight 452.67 g/mol
Molecular Formula C30H28S2
Exact Mass 452.163243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrtRi5wakyA
Name 8,20-Dithiapentacyclo[20.2.2.23,6.210,13.215,18]dotriaconta-3,5,10,12,15,17,22,24,25,27,29,31-dodecaene
CAS Registry Number 114067-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28S2
InChI InChI=1S/C30H28S2/c1-9-27-10-2-23(1)17-24-3-11-28(12-4-24)21-32-22-30-15-7-26(8-16-30)18-25-5-13-29(14-6-25)20-31-19-27/h1-16H,17-22H2
InChIKey JWWCGDWIIJFQKT-UHFFFAOYSA-N
Molecular Weight 452.674 g/mol
SMILES C1SCc2ccc(Cc3ccc(CSCc4ccc(Cc5ccc1cc5)cc4)cc3)cc2
SPLASH splash10-0udj-2920700000-3ac65b960a7b989c502e
Source of Spectrum F-43-3210-1
Synonyms 2,18-Dithia[3,1,3,1]paracyclophane 2,18-Dithia[3.1.3.1]paracyclophane 8,20-dithiapentacyclo[20.2.2.2(3,6).2(10,13).2(15,18)]dotriaconta-1(24),3,5,10,12,15,17,22,25,27,29,31-dodecaene
Wiley ID 1388392