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2,2':5',2'':5'',2''':5''',2''''-Quinquethiophene
SpectraBase Compound ID AiPXkqkqmsK
InChI InChI=1S/C20H12S5/c1-3-13(21-11-1)15-5-7-17(23-15)19-9-10-20(25-19)18-8-6-16(24-18)14-4-2-12-22-14/h1-12H
InChIKey YFBLUJZFRBFQMR-UHFFFAOYSA-N
Mol Weight 412.6 g/mol
Molecular Formula C20H12S5
Exact Mass 411.954256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbdELgwhNJk
Name [2,2':5',2'':5'',2''':5''',2'''']-quinquethiophene
Appearance Orange-brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12S5
InChI InChI=1S/C20H12S5/c1-3-13(21-11-1)15-5-7-17(23-15)19-9-10-20(25-19)18-8-6-16(24-18)14-4-2-12-22-14/h1-12H
InChIKey YFBLUJZFRBFQMR-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200/Shimadzu GC-2010/QP2010
Ionization Type EI+
Literature Reference DOI 10.3762/bjoc.7.174
Molecular Weight 412.616 g/mol
SMILES c1(sc(cc1)-c1sc(cc1)-c1cccs1)-c1ccc(s1)-c1sccc1
SPLASH splash10-03di-0410900000-43e6bafa3b0486d65525
Source of Spectrum BJO-7-SM21-2o
Wiley ID 1867149