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N-Benzyl-N-[3-(4-trifluoromethylphenyl)ethynyl-5-(4-methylphenyl)]pyrazin-2-yl amine
SpectraBase Compound ID FkZFEsSrF9L
InChI InChI=1S/C27H20F3N3/c1-19-7-12-22(13-8-19)25-18-32-26(31-17-21-5-3-2-4-6-21)24(33-25)16-11-20-9-14-23(15-10-20)27(28,29)30/h2-10,12-15,18H,17H2,1H3,(H,31,32)
InChIKey KZKYGWXGIPWGEK-UHFFFAOYSA-N
Mol Weight 443.47 g/mol
Molecular Formula C27H20F3N3
Exact Mass 443.160932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CrrdxqAsnQ
Name N-Benzyl-N-[3-(4-trifluoromethylphenyl)ethynyl-5-(4-methylphenyl)]pyrazin-2-yl amine
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20F3N3
InChI InChI=1S/C27H20F3N3/c1-19-7-12-22(13-8-19)25-18-32-26(31-17-21-5-3-2-4-6-21)24(33-25)16-11-20-9-14-23(15-10-20)27(28,29)30/h2-10,12-15,18H,17H2,1H3,(H,31,32)
InChIKey KZKYGWXGIPWGEK-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5988A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.720
Molecular Weight 443.473 g/mol
Reported Formula C27H20F3N3
SMILES N(c1c(nc(-c2ccc(cc2)C)cn1)C#Cc1ccc(cc1)C(F)(F)F)Cc1ccccc1
SPLASH splash10-00ke-2896600000-1de9e8d66deb8db3dc89
Source of Spectrum ARK-2014-333-5c
Wiley ID 1845631