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4-(Thien-3-yl)-3-(p-tolylethynyl)pyridine
SpectraBase Compound ID 87XhueCXgty
InChI InChI=1S/C18H13NS/c1-14-2-4-15(5-3-14)6-7-16-12-19-10-8-18(16)17-9-11-20-13-17/h2-5,8-13H,1H3
InChIKey WNUZGGUBIRBSOZ-UHFFFAOYSA-N
Mol Weight 275.37 g/mol
Molecular Formula C18H13NS
Exact Mass 275.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OTDmn4fi4
Name 4-(Thien-3-yl)-3-(p-tolylethynyl)pyridine
Appearance Yellow solid
Carrier Gas Helium
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Exact Mass 275.076870597 u
Formula C18H13NS
InChI InChI=1S/C18H13NS/c1-14-2-4-15(5-3-14)6-7-16-12-19-10-8-18(16)17-9-11-20-13-17/h2-5,8-13H,1H3
InChIKey WNUZGGUBIRBSOZ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 275.369 g/mol
Quality 327
Reported Formula C18H13NS
SMILES C1(=CC=C(C=C1)C)C#CC=1C=NC=CC1C1=CSC=C1
SPLASH splash10-00b9-0090000000-f59bdcaa8c04fd01fc68
Source of Spectrum K1-2022-SM8-2b (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.18 (Heptane/EtOAc, 5:1)
Wiley ID 1899013