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5-Heptadecyl-2,2':5',2"-terthiophene dimer

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5-Heptadecyl-2,2':5',2"-terthiophene dimer
SpectraBase Compound ID 2BWpX8zAyyO
InChI InChI=1S/C58H82S6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-47-35-37-49(59-47)51-39-41-53(61-51)55-43-45-57(63-55)58-46-44-56(64-58)54-42-40-52(62-54)50-38-36-48(60-50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-46H,3-34H2,1-2H3
InChIKey HPSZIIOBVRAULE-UHFFFAOYSA-N
Mol Weight 971.7 g/mol
Molecular Formula C58H82S6
Exact Mass 970.47408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcKYPTuKdHs
Name 5-Heptadecyl-2,2':5',2"-terthiophene dimer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C58H82S6
InChI InChI=1S/C58H82S6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-47-35-37-49(59-47)51-39-41-53(61-51)55-43-45-57(63-55)58-46-44-56(64-58)54-42-40-52(62-54)50-38-36-48(60-50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-46H,3-34H2,1-2H3
InChIKey HPSZIIOBVRAULE-UHFFFAOYSA-N
Molecular Weight 971.654 g/mol
SMILES c1(sc(cc1)-c1sc(CCCCCCCCCCCCCCCCC)cc1)-c1sc(-c2sc(-c3sc(-c4sc(CCCCCCCCCCCCCCCCC)cc4)cc3)cc2)cc1
SPLASH splash10-00di-0000000109-fdfc13ee522724b33ce0
Source of Spectrum F-51-2239-1
Synonyms 5,5'''''-Diheptadecyl-2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-Hexathiophene (or .alpha.,.omega.Diheptadecylsexithiophene) 5,5'''''-Diheptadecyl-2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-Hexathiophene (or .alpha.,.omega.Diheptadecylsexithiophene)
Wiley ID 791041