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N-Benzyl-N-[3-(4-methylphenyl)ethynyl-5-(4-methoxyphenyl)]pyrazin-2-yl amine
SpectraBase Compound ID 4UUp847jKHO
InChI InChI=1S/C27H23N3O/c1-20-8-10-21(11-9-20)12-17-25-27(28-18-22-6-4-3-5-7-22)29-19-26(30-25)23-13-15-24(31-2)16-14-23/h3-11,13-16,19H,18H2,1-2H3,(H,28,29)
InChIKey IPANJWTYEMQRLA-UHFFFAOYSA-N
Mol Weight 405.5 g/mol
Molecular Formula C27H23N3O
Exact Mass 405.184112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jF9uacAa7f
Name N-Benzyl-N-[3-(4-methylphenyl)ethynyl-5-(4-methoxyphenyl)]pyrazin-2-yl amine
Appearance Dark yellow oil
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Formula C27H23N3O
InChI InChI=1S/C27H23N3O/c1-20-8-10-21(11-9-20)12-17-25-27(28-18-22-6-4-3-5-7-22)29-19-26(30-25)23-13-15-24(31-2)16-14-23/h3-11,13-16,19H,18H2,1-2H3,(H,28,29)
InChIKey IPANJWTYEMQRLA-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5988A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.720
Molecular Weight 405.501 g/mol
Reported Formula C27H22N3O
SMILES N(c1c(nc(-c2ccc(cc2)OC)cn1)C#Cc1ccc(cc1)C)Cc1ccccc1
SPLASH splash10-01t9-0409300000-2961c0e271ebac725eea
Source of Spectrum ARK-2014-333-5d
Wiley ID 1845632