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N-Benzyl-N-[5-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)ethynyl]pyrazin-2-yl amine
SpectraBase Compound ID Llsxs1HlURl
InChI InChI=1S/C28H21N3OS/c1-32-22-14-11-20(12-15-22)13-16-25-28(29-17-21-7-3-2-4-8-21)30-18-26(31-25)24-19-33-27-10-6-5-9-23(24)27/h2-12,14-15,18-19H,17H2,1H3,(H,29,30)
InChIKey BWWQUMXGCRCDBO-UHFFFAOYSA-N
Mol Weight 447.56 g/mol
Molecular Formula C28H21N3OS
Exact Mass 447.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FdrmpQ5jUG
Name N-Benzyl-N-[5-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)ethynyl]pyrazin-2-yl amine
Appearance Yellow oil
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Formula C28H21N3OS
InChI InChI=1S/C28H21N3OS/c1-32-22-14-11-20(12-15-22)13-16-25-28(29-17-21-7-3-2-4-8-21)30-18-26(31-25)24-19-33-27-10-6-5-9-23(24)27/h2-12,14-15,18-19H,17H2,1H3,(H,29,30)
InChIKey BWWQUMXGCRCDBO-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5988A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.720
Molecular Weight 447.556 g/mol
Reported Formula C28H22N3OS
SMILES N(Cc1ccccc1)c1c(nc(cn1)-c1c2c(sc1)cccc2)C#Cc1ccc(cc1)OC
SPLASH splash10-00dj-0209500000-674e987bcfef76b804bf
Source of Spectrum ARK-2014-334-5f
Wiley ID 1845634