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4-(Benzo[b]thien-3-yl)-3-((4-(tert-butyl)phenyl)ethynyl)pyridine
SpectraBase Compound ID JzEcq4BmCnk
InChI InChI=1S/C25H21NS/c1-25(2,3)20-12-9-18(10-13-20)8-11-19-16-26-15-14-21(19)23-17-27-24-7-5-4-6-22(23)24/h4-7,9-10,12-17H,1-3H3
InChIKey WTBGECCNNDRZDW-UHFFFAOYSA-N
Mol Weight 367.51 g/mol
Molecular Formula C25H21NS
Exact Mass 367.139471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCEncuttd7M
Name 4-(Benzo[b]thien-3-yl)-3-((4-(tert-butyl)phenyl)ethynyl)pyridine
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 367.139470854 u
Formula C25H21NS
InChI InChI=1S/C25H21NS/c1-25(2,3)20-12-9-18(10-13-20)8-11-19-16-26-15-14-21(19)23-17-27-24-7-5-4-6-22(23)24/h4-7,9-10,12-17H,1-3H3
InChIKey WTBGECCNNDRZDW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 367.510 g/mol
Quality 386
Reported Formula C25H21NS
SMILES C1=2SC=C(C2C=CC=C1)C1=C(C=NC=C1)C#CC1=CC=C(C=C1)C(C)(C)C
SPLASH splash10-0wmi-1009000000-a97f4c79fb898e5adf5f
Source of Spectrum K1-2022-SM15-2n (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.35 (Heptane/EtOAc, 3:1)
Wiley ID 1899025