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N-Benzyl-N-[3-(4-dimethylaminophenyl)ethynyl-5-(4-methoxyphenyl)]pyrazin-2-yl amine
SpectraBase Compound ID CalrYptjQhG
InChI InChI=1S/C28H26N4O/c1-32(2)24-14-9-21(10-15-24)11-18-26-28(29-19-22-7-5-4-6-8-22)30-20-27(31-26)23-12-16-25(33-3)17-13-23/h4-10,12-17,20H,19H2,1-3H3,(H,29,30)
InChIKey KXWSSWSJRMQFBI-UHFFFAOYSA-N
Mol Weight 434.54 g/mol
Molecular Formula C28H26N4O
Exact Mass 434.210661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hae6Qwt5rhm
Name N-Benzyl-N-[3-(4-dimethylaminophenyl)ethynyl-5-(4-methoxyphenyl)]pyrazin-2-yl amine
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26N4O
InChI InChI=1S/C28H26N4O/c1-32(2)24-14-9-21(10-15-24)11-18-26-28(29-19-22-7-5-4-6-8-22)30-20-27(31-26)23-12-16-25(33-3)17-13-23/h4-10,12-17,20H,19H2,1-3H3,(H,29,30)
InChIKey KXWSSWSJRMQFBI-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5988A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.720
Molecular Weight 434.543 g/mol
Reported Formula C28H25N4O
SMILES N(Cc1ccccc1)c1c(nc(cn1)-c1ccc(cc1)OC)C#Cc1ccc(cc1)N(C)C
SPLASH splash10-0536-0109200000-76ab57bac3e9755c2780
Source of Spectrum ARK-2014-334-5e
Wiley ID 1845633