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4-((4-(Benzo[b]thien-3-yl)pyridin-3-yl)ethynyl)-N,N-dimethylaniline
SpectraBase Compound ID 1UHH5nvM6xH
InChI InChI=1S/C23H18N2S/c1-25(2)19-11-8-17(9-12-19)7-10-18-15-24-14-13-20(18)22-16-26-23-6-4-3-5-21(22)23/h3-6,8-9,11-16H,1-2H3
InChIKey JSAGCNKCYDSADB-UHFFFAOYSA-N
Mol Weight 354.47 g/mol
Molecular Formula C23H18N2S
Exact Mass 354.11907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtfhZAI503D
Name 4-((4-(Benzo[b]thien-3-yl)pyridin-3-yl)ethynyl)-N,N-dimethylaniline
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 354.119069762 u
Formula C23H18N2S
InChI InChI=1S/C23H18N2S/c1-25(2)19-11-8-17(9-12-19)7-10-18-15-24-14-13-20(18)22-16-26-23-6-4-3-5-21(22)23/h3-6,8-9,11-16H,1-2H3
InChIKey JSAGCNKCYDSADB-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 354.471 g/mol
Quality 52
Reported Formula C23H18N2S
SMILES C1=2SC=C(C2C=CC=C1)C1=C(C=NC=C1)C#CC1=CC=C(C=C1)N(C)C
SPLASH splash10-0zfr-0009000000-4a3455adbf93028c18f9
Source of Spectrum K1-2022-SM20-2v (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.3 (Heptane/EtOAc, 3:1)
Wiley ID 1899033