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

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GZ6pqFOixX3
Name 5,5'''''-dihexadecyloxymethyl-2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-hexathiophene (or .alpha.,.omega.dihexadecyloxymethylsexithiophene)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1002.463908922 u
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 C=1(SC(=CC1)C=1SC(COCCCCCCCCCCCCCCCC)=CC1)C=1SC(C=2SC(C=3SC(C=4SC(COCCCCCCCCCCCCCCCC)=CC4)=CC3)=CC2)=CC1