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2,17-Dithia[3.3](3,3')biphenylophane

View entire compound with spectra: 1 MS (GC)

2,17-Dithia[3.3](3,3')biphenylophane
SpectraBase Compound ID 5cQVZClJhhz
InChI InChI=1S/C28H24S2/c1-3-7-25(8-4-1)27-13-21-11-22(14-27)18-30-20-24-12-23(19-29-17-21)15-28(16-24)26-9-5-2-6-10-26/h1-16H,17-20H2
InChIKey FDMKCSFUHDVWQE-UHFFFAOYSA-N
Mol Weight 424.62 g/mol
Molecular Formula C28H24S2
Exact Mass 424.131943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FySpactDdgL
Name 2,17-Dithia[3.3](3,3')biphenylophane
Alternate Name(s) 7,15-diphenyl-3,11-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),5(18),6,8,13,15-hexaene
CAS Registry Number 66018-32-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24S2
InChI InChI=1S/C28H24S2/c1-3-7-25(8-4-1)27-13-21-11-22(14-27)18-30-20-24-12-23(19-29-17-21)15-28(16-24)26-9-5-2-6-10-26/h1-16H,17-20H2
InChIKey FDMKCSFUHDVWQE-UHFFFAOYSA-N
Molecular Weight 424.620 g/mol
SMILES c1(cc2CSCc3cc(cc(CSCc(c1)c2)c3)-c1ccccc1)-c1ccccc1
SPLASH splash10-001i-0930300000-5ab322c1e0435fb3bd19
Source of Spectrum J-43-2486-0
Wiley ID 1379449