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(Octylthio)ethyne
SpectraBase Compound ID 9e08ODNdSCT
InChI InChI=1S/C10H18S/c1-3-5-6-7-8-9-10-11-4-2/h2H,3,5-10H2,1H3
InChIKey BFFILVABCULORG-UHFFFAOYSA-N
Mol Weight 170.31 g/mol
Molecular Formula C10H18S
Exact Mass 170.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Dg0dAh7Tb9
Name (Octylthio)ethyne
Alternate Name(s) 1-(Octylsulfanyl)acetylene Ethynyl octyl sulfide 1-Ethynylsulfanyloctane
Comments Less than 3 mono-isotopic peaks
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Formula C10H18S
InChI InChI=1S/C10H18S/c1-3-5-6-7-8-9-10-11-4-2/h2H,3,5-10H2,1H3
InChIKey BFFILVABCULORG-UHFFFAOYSA-N
Molecular Weight 170.314 g/mol
SMILES C(#C)SCCCCCCCC
SPLASH splash10-0006-9000000000-be550f54eaa46f3359c2
Source of Spectrum J-60-7690-2
Wiley ID 1167348