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5-Methyl-3-(phenylethynyl)-2-(propylthio)pyridine
SpectraBase Compound ID KryodV05FST
InChI InChI=1S/C17H17NS/c1-3-11-19-17-16(12-14(2)13-18-17)10-9-15-7-5-4-6-8-15/h4-8,12-13H,3,11H2,1-2H3
InChIKey GMBOEHGZXGCXNN-UHFFFAOYSA-N
Mol Weight 267.39 g/mol
Molecular Formula C17H17NS
Exact Mass 267.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYo9xQa7HlG
Name 5-Methyl-3-(phenylethynyl)-2-(propylthio)pyridine
Appearance Brown oil
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Formula C17H17NS
InChI InChI=1S/C17H17NS/c1-3-11-19-17-16(12-14(2)13-18-17)10-9-15-7-5-4-6-8-15/h4-8,12-13H,3,11H2,1-2H3
InChIKey GMBOEHGZXGCXNN-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100102
Molecular Weight 267.390 g/mol
Reported Formula C17H17NS
SMILES c1(c(ncc(c1)C)SCCC)C#Cc1ccccc1
SPLASH splash10-000i-0090000000-d5e9047ec58634cc348e
Source of Spectrum AJO-10-SM5-1d
Wiley ID 1866340