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5,5""'-Dihexadecyloxymethyl-2,2':5',2":5",2"':5"',2"":5"",2""'-Hexathiophene (or .alpha.,.omega.Dihexadecyloxymethylsexithiophene)

View entire compound with spectra: 1 MS (GC)

5,5""'-Dihexadecyloxymethyl-2,2':5',2":5",2"':5"',2"":5"",2""'-Hexathiophene (or .alpha.,.omega.Dihexadecyloxymethylsexithiophene)
SpectraBase Compound ID 4QkdBAyIGBS
InChI InChI=1S/C58H82O2S6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-43-59-45-47-31-33-49(61-47)51-35-37-53(63-51)55-39-41-57(65-55)58-42-40-56(66-58)54-38-36-52(64-54)50-34-32-48(62-50)46-60-44-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-42H,3-30,43-46H2,1-2H3
InChIKey KKNATRKYMAXGKV-UHFFFAOYSA-N
Mol Weight 1003.7 g/mol
Molecular Formula C58H82O2S6
Exact Mass 1002.463909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ktRbJTaCZa
Name 5,5""'-Dihexadecyloxymethyl-2,2':5',2":5",2"':5"',2"":5"",2""'-Hexathiophene (or .alpha.,.omega.Dihexadecyloxymethylsexithiophene)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C58H82O2S6
InChI InChI=1S/C58H82O2S6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-43-59-45-47-31-33-49(61-47)51-35-37-53(63-51)55-39-41-57(65-55)58-42-40-56(66-58)54-38-36-52(64-54)50-34-32-48(62-50)46-60-44-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-42H,3-30,43-46H2,1-2H3
InChIKey KKNATRKYMAXGKV-UHFFFAOYSA-N
Molecular Weight 1003.652 g/mol
SMILES c1(sc(cc1)-c1sc(COCCCCCCCCCCCCCCCC)cc1)-c1sc(-c2sc(-c3sc(-c4sc(COCCCCCCCCCCCCCCCC)cc4)cc3)cc2)cc1
SPLASH splash10-00di-0010090000-dc8e88aec4147dec3f7b
Source of Spectrum F-51-2239-2
Synonyms 5,5'''''-Dihexadecyloxymethyl-2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-Hexathiophene (or .alpha.,.omega.Dihexadecyloxymethylsexithiophene)
Wiley ID 791040