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4-(Thien-3-yl)-3-(m-tolylethynyl)pyridine
SpectraBase Compound ID ChuwQrRJJ3A
InChI InChI=1S/C18H13NS/c1-14-3-2-4-15(11-14)5-6-16-12-19-9-7-18(16)17-8-10-20-13-17/h2-4,7-13H,1H3
InChIKey WWUNPPIOXMHGQK-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 9ZRPUcVx3bU
Name 4-(Thien-3-yl)-3-(m-tolylethynyl)pyridine
Appearance Brown oil
Carrier Gas Helium
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Exact Mass 275.076870597 u
Formula C18H13NS
InChI InChI=1S/C18H13NS/c1-14-3-2-4-15(11-14)5-6-16-12-19-9-7-18(16)17-8-10-20-13-17/h2-4,7-13H,1H3
InChIKey WWUNPPIOXMHGQK-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 275.369 g/mol
Reported Formula C18H14NS
SMILES C=1SC=CC1C1=C(C=NC=C1)C#CC1=CC(=CC=C1)C
SPLASH splash10-00b9-0090000000-662216940eeeefcf8783
Source of Spectrum K1-2022-SM12-2h (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.24 (Heptane/EtOAc, 5:1)
Wiley ID 1899019