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5-Bromo-5"-(heptadec-1-enyl)-2,2':5',2"-terthiophene

View entire compound with spectra: 1 MS (GC)

5-Bromo-5"-(heptadec-1-enyl)-2,2':5',2"-terthiophene
SpectraBase Compound ID CJ9UoEDvNdZ
InChI InChI=1S/C29H39BrS3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-18-19-25(31-24)26-20-21-27(32-26)28-22-23-29(30)33-28/h16-23H,2-15H2,1H3/b17-16+
InChIKey GPUBFDFLOFBLER-WUKNDPDISA-N
Mol Weight 563.7 g/mol
Molecular Formula C29H39BrS3
Exact Mass 562.139728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ggTPiZ292
Name 5-Bromo-5"-(heptadec-1-enyl)-2,2':5',2"-terthiophene
Alternate Name(s) (trans)-5-Bromo-5''-(heptadec-1-enyl)-2,2':5',2''-terthiophene 2-(5-bromothiophen-2-yl)-5-{5-[(1E)-heptadec-1-en-1-yl]thiophen-2-yl}thiophene
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Formula C29H39BrS3
InChI InChI=1S/C29H39BrS3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-18-19-25(31-24)26-20-21-27(32-26)28-22-23-29(30)33-28/h16-23H,2-15H2,1H3/b17-16+
InChIKey GPUBFDFLOFBLER-WUKNDPDISA-N
Molecular Weight 563.715 g/mol
SMILES c1(sc(cc1)-c1sc(Br)cc1)-c1sc(\C=C\CCCCCCCCCCCCCCC)cc1
SPLASH splash10-03di-0161090000-a0d7c9674924b851567f
Source of Spectrum F-51-2239-19
Wiley ID 791042