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Diphenylthiophene[h]dibenzo[b,e]bicyclo[2.2.2]octane
SpectraBase Compound ID IF6swGB4A8t
InChI InChI=1S/C30H20S/c1-3-11-19(12-4-1)29-27-25-21-15-7-9-17-23(21)26(24-18-10-8-16-22(24)25)28(27)30(31-29)20-13-5-2-6-14-20/h1-18,25-26H/t25-,26+
InChIKey TWFWWBQEWYPFCE-WMPKNSHKSA-N
Mol Weight 412.55 g/mol
Molecular Formula C30H20S
Exact Mass 412.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKFWGQz1KFI
Name Diphenylthiophene[h]dibenzo[b,e]bicyclo[2.2.2]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H20S
InChI InChI=1S/C30H20S/c1-3-11-19(12-4-1)29-27-25-21-15-7-9-17-23(21)26(24-18-10-8-16-22(24)25)28(27)30(31-29)20-13-5-2-6-14-20/h1-18,25-26H/t25-,26+
InChIKey TWFWWBQEWYPFCE-WMPKNSHKSA-N
Molecular Weight 412.550 g/mol
SMILES c12c(c(-c3ccccc3)sc1-c1ccccc1)[C@]1(c3c([C@@]2(c2c1cccc2)[H])cccc3)[H]
SPLASH splash10-03k9-0616900000-ee02190e07bf49bfe7cc
Source of Spectrum J-59-4310-13
Synonyms 16,18-diphenyl-17-thiapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13,15,18-octaene
Wiley ID 1374881