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2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-3-(1-phenyl-1H-pyrrol-2-yl)quinoxaline
SpectraBase Compound ID 7YRyjU5qX1J
InChI InChI=1S/C27H20N6/c1-3-10-20(11-4-1)18-32-19-24(30-31-32)26-27(29-23-15-8-7-14-22(23)28-26)25-16-9-17-33(25)21-12-5-2-6-13-21/h1-17,19H,18H2
InChIKey XQPUEJNVXJGZHW-UHFFFAOYSA-N
Mol Weight 428.5 g/mol
Molecular Formula C27H20N6
Exact Mass 428.174945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtUeVSDr2WV
Name 2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-3-(1-phenyl-1H-pyrrol-2-yl)quinoxaline
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.174944668 u
Formula C27H20N6
InChI InChI=1S/C27H20N6/c1-3-10-20(11-4-1)18-32-19-24(30-31-32)26-27(29-23-15-8-7-14-22(23)28-26)25-16-9-17-33(25)21-12-5-2-6-13-21/h1-17,19H,18H2
InChIKey XQPUEJNVXJGZHW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900277
Molecular Weight 428.499 g/mol
Quality 300
SMILES C1(=CC=CC=C1)CN1N=NC(=C1)C1=NC2=C(N=C1C=1N(C=CC1)C1=CC=CC=C1)C=CC=C2
SPLASH splash10-001j-1093300000-430e4738c1726fcb8449
Source of Spectrum QE-25-SM7-3c (DOI: 10.1002/chem.201900277)
Thin-Layer Chromatography 0.38 (petroleum ether/ethyl acetate, 1:1)
Wiley ID 1893776