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5-Benzyl-2-(4-methylphenyl)-6-(4-trifluoromethylphenyl)-5H-pyrrolo[2,3-b]pyrazine
SpectraBase Compound ID G4vx059CsI
InChI InChI=1S/C27H20F3N3/c1-18-7-9-20(10-8-18)24-16-31-26-23(32-24)15-25(33(26)17-19-5-3-2-4-6-19)21-11-13-22(14-12-21)27(28,29)30/h2-16H,17H2,1H3
InChIKey QZSJERMQAMUOJF-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 7BVMMhqtWWy
Name 5-Benzyl-2-(4-methylphenyl)-6-(4-trifluoromethylphenyl)-5H-pyrrolo[2,3-b]pyrazine
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20F3N3
InChI InChI=1S/C27H20F3N3/c1-18-7-9-20(10-8-18)24-16-31-26-23(32-24)15-25(33(26)17-19-5-3-2-4-6-19)21-11-13-22(14-12-21)27(28,29)30/h2-16H,17H2,1H3
InChIKey QZSJERMQAMUOJF-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 c1([n](c2c(c1)nc(cn2)-c1ccc(cc1)C)Cc1ccccc1)-c1ccc(cc1)C(F)(F)F
SPLASH splash10-0006-1002900000-4f12d601c838cbad2f03
Source of Spectrum ARK-2014-336-7b
Wiley ID 1845640