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1-(but-1-ynylthio)ethylbenzene

View entire compound with spectra: 1 MS (GC)

1-(but-1-ynylthio)ethylbenzene
SpectraBase Compound ID EDmmrtaD8cT
InChI InChI=1S/C12H14S/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h5-9,11H,3H2,1-2H3
InChIKey QJBWBIFSKAXBAK-UHFFFAOYSA-N
Mol Weight 190.3 g/mol
Molecular Formula C12H14S
Exact Mass 190.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HyiPUhWPHo
Name 1-(but-1-ynylthio)ethylbenzene
Alternate Name(s) 1-but-1-ynylsulfanylethylbenzene
Comments Less than 3 mono-isotopic peaks
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Formula C12H14S
InChI InChI=1S/C12H14S/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h5-9,11H,3H2,1-2H3
InChIKey QJBWBIFSKAXBAK-UHFFFAOYSA-N
Molecular Weight 190.304 g/mol
SMILES C(#CCC)SC(c1ccccc1)C
SPLASH splash10-0a4i-0900000000-c09f5211e08507d966ee
Source of Spectrum J-60-7691-2
Wiley ID 1186839