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Methyl 2-(4-(3-(1-methyl-1H-indol-3-yl)quinoxalin-2-yl)-1H-1,2,3-triazol-1-yl)acetate
SpectraBase Compound ID IYaCGkyT7bb
InChI InChI=1S/C22H18N6O2/c1-27-11-15(14-7-3-6-10-19(14)27)21-22(24-17-9-5-4-8-16(17)23-21)18-12-28(26-25-18)13-20(29)30-2/h3-12H,13H2,1-2H3
InChIKey YEUBVNAVEBHDSM-UHFFFAOYSA-N
Mol Weight 398.43 g/mol
Molecular Formula C22H18N6O2
Exact Mass 398.149124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51XMto918K
Name Methyl 2-(4-(3-(1-methyl-1H-indol-3-yl)quinoxalin-2-yl)-1H-1,2,3-triazol-1-yl)acetate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.149123842 u
Formula C22H18N6O2
InChI InChI=1S/C22H18N6O2/c1-27-11-15(14-7-3-6-10-19(14)27)21-22(24-17-9-5-4-8-16(17)23-21)18-12-28(26-25-18)13-20(29)30-2/h3-12H,13H2,1-2H3
InChIKey YEUBVNAVEBHDSM-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900277
Molecular Weight 398.426 g/mol
Quality 150
SMILES COC(CN1N=NC(=C1)C1=NC2=C(N=C1C1=CN(C3=C1C=CC=C3)C)C=CC=C2)=O
SPLASH splash10-007k-0094000000-2fce87d758ede3972443
Source of Spectrum QE-25-SM12-3o (DOI: 10.1002/chem.201900277)
Thin-Layer Chromatography 0.16 (petroleum ether/ethyl acetate, 1:1)
Wiley ID 1893781