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2-(5-bromanyl-4-dodecyl-thiophen-2-yl)thiophene-3-carbonitrile
SpectraBase Compound ID IOMTN9jcjMG
InChI InChI=1S/C21H28BrNS2/c1-2-3-4-5-6-7-8-9-10-11-12-17-15-19(25-21(17)22)20-18(16-23)13-14-24-20/h13-15H,2-12H2,1H3
InChIKey JAHOIZPUYVTRNQ-UHFFFAOYSA-N
Mol Weight 438.49 g/mol
Molecular Formula C21H28BrNS2
Exact Mass 437.084655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vMEPbbokNI
Name 2-(5-bromanyl-4-dodecyl-thiophen-2-yl)thiophene-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C21H28BrNS2
InChI InChI=1S/C21H28BrNS2/c1-2-3-4-5-6-7-8-9-10-11-12-17-15-19(25-21(17)22)20-18(16-23)13-14-24-20/h13-15H,2-12H2,1H3
InChIKey JAHOIZPUYVTRNQ-UHFFFAOYSA-N
Molecular Weight 438.486 g/mol
SMILES c1(sc(Br)c(c1)CCCCCCCCCCCC)-c1c(C#N)ccs1
SPLASH splash10-0udi-0090100000-5342ac48148835d13af6
Source of Spectrum K1-2001-3443-14
Synonyms 2-(5-bromo-4-dodecyl-2-thienyl)thiophene-3-carbonitrile 2-(5-bromo-4-dodecyl-2-thiophenyl)-3-thiophenecarbonitrile 2-(5-bromo-4-dodecylthiophen-2-yl)thiophene-3-carbonitrile 2-(5-bromo-4-lauryl-2-thienyl)thiophene-3-carbonitrile
Wiley ID 814375