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2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-3-(1-methyl-1H-pyrrol-2-yl)benzo[g]quinoxaline
SpectraBase Compound ID HDP7o1oChjg
InChI InChI=1S/C26H20N6/c1-31-13-7-12-24(31)26-25(23-17-32(30-29-23)16-18-8-3-2-4-9-18)27-21-14-19-10-5-6-11-20(19)15-22(21)28-26/h2-15,17H,16H2,1H3
InChIKey UMPYBRKIXRIWHW-UHFFFAOYSA-N
Mol Weight 416.49 g/mol
Molecular Formula C26H20N6
Exact Mass 416.174945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGhinas9ijQ
Name 2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-3-(1-methyl-1H-pyrrol-2-yl)benzo[g]quinoxaline
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.174944668 u
Formula C26H20N6
InChI InChI=1S/C26H20N6/c1-31-13-7-12-24(31)26-25(23-17-32(30-29-23)16-18-8-3-2-4-9-18)27-21-14-19-10-5-6-11-20(19)15-22(21)28-26/h2-15,17H,16H2,1H3
InChIKey UMPYBRKIXRIWHW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900277
Molecular Weight 416.488 g/mol
Quality 244
SMILES C1(=CC=CC=C1)CN1N=NC(=C1)C1=NC2=C(N=C1C=1N(C=CC1)C)C=C1C(=C2)C=CC=C1
SPLASH splash10-00yi-0092100000-3048e8cd31e328a0c70b
Source of Spectrum QE-25-SM13-3r (DOI: 10.1002/chem.201900277)
Thin-Layer Chromatography 0.44 (petroleum ether/ethyl acetate, 1:1)
Wiley ID 1893784