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3-Octylthiophene

View entire compound with spectra: 3 NMR, 6 FTIR, 1 Raman, and 2 MS (GC)

3-Octylthiophene
SpectraBase Compound ID DPHrvSb3vXP
InChI InChI=1S/C12H20S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3
InChIKey WQYWXQCOYRZFAV-UHFFFAOYSA-N
Mol Weight 196.35 g/mol
Molecular Formula C12H20S
Exact Mass 196.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxOQQDEcxCm
Name 3-n-Octylthiophene
CAS Registry Number 65016-62-8
Comments Less than 3 mono-isotopic peaks
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Formula C12H20S
InChI InChI=1S/C12H20S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3
InChIKey WQYWXQCOYRZFAV-UHFFFAOYSA-N
Molecular Weight 196.352 g/mol
SMILES c1sccc1CCCCCCCC
SPLASH splash10-0002-9100000000-228a89550a0af06ef1b6
Source of Spectrum J-58-911-3
Synonyms 3-Octylthiophene
Wiley ID 1193778