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2,5-Dibromo-3-octylthiophene
SpectraBase Compound ID 1lCoivD89Xq
InChI InChI=1S/C12H18Br2S/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h9H,2-8H2,1H3
InChIKey PJGBSUPPENVFAD-UHFFFAOYSA-N
Mol Weight 354.14 g/mol
Molecular Formula C12H18Br2S
Exact Mass 351.949598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1B4OzkpzJit
Name 2,5-Dibromo-3-octylthiophene
Alternate Name(s) 2,5-bis(bromanyl)-3-octyl-thiophene
Comments Less than 3 mono-isotopic peaks
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Formula C12H18Br2S
InChI InChI=1S/C12H18Br2S/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h9H,2-8H2,1H3
InChIKey PJGBSUPPENVFAD-UHFFFAOYSA-N
Molecular Weight 354.144 g/mol
SMILES c1(sc(cc1CCCCCCCC)Br)Br
SPLASH splash10-056r-0940000000-c64b251adf96b5109c0c
Source of Spectrum C-117-242-1
Wiley ID 758604