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5-Bromo-5"-hexadecyloxymethyl-2,2':5',2"-terthiophene

View entire compound with spectra: 1 MS (GC)

5-Bromo-5"-hexadecyloxymethyl-2,2':5',2"-terthiophene
SpectraBase Compound ID 6vrpYGpQs4T
InChI InChI=1S/C29H41BrOS3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-23-24-16-17-25(32-24)26-18-19-27(33-26)28-20-21-29(30)34-28/h16-21H,2-15,22-23H2,1H3
InChIKey PHBBZPWEDGOTJK-UHFFFAOYSA-N
Mol Weight 581.7 g/mol
Molecular Formula C29H41BrOS3
Exact Mass 580.150292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8k6jpDSPl9v
Name 5-Bromo-5"-hexadecyloxymethyl-2,2':5',2"-terthiophene
Alternate Name(s) 2-(5-bromothiophen-2-yl)-5-{5-[(hexadecyloxy)methyl]thiophen-2-yl}thiophene 5-Bromo-5''-hexadecyloxymethyl-2,2':5',2''-terthiophene
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Formula C29H41BrOS3
InChI InChI=1S/C29H41BrOS3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-23-24-16-17-25(32-24)26-18-19-27(33-26)28-20-21-29(30)34-28/h16-21H,2-15,22-23H2,1H3
InChIKey PHBBZPWEDGOTJK-UHFFFAOYSA-N
Molecular Weight 581.730 g/mol
SMILES c1(sc(cc1)-c1sc(Br)cc1)-c1sc(COCCCCCCCCCCCCCCCC)cc1
SPLASH splash10-01qc-0534090000-5b1e4f8379df564ff6f7
Source of Spectrum F-51-2239-18
Wiley ID 791043