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3-[1-(p-Tolyl)-3-ethoxycarbonyl-5-methyl-1H-pyrazole-4-carbonyl][1,2,4]triazino[4,3-a]benzimidazole
SpectraBase Compound ID 3E41Q6TueTi
InChI InChI=1S/C24H20N6O3/c1-4-33-23(32)21-20(15(3)30(28-21)16-11-9-14(2)10-12-16)22(31)18-13-29-19-8-6-5-7-17(19)25-24(29)27-26-18/h5-13H,4H2,1-3H3
InChIKey SZPGYDWCFICCSE-UHFFFAOYSA-N
Mol Weight 440.46 g/mol
Molecular Formula C24H20N6O3
Exact Mass 440.159689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHmq2J7WaX
Name 3-[1-(p-Tolyl)-3-ethoxycarbonyl-5-methyl-1H-pyrazole-4-carbonyl][1,2,4]triazino[4,3-a]benzimidazole
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20N6O3
InChI InChI=1S/C24H20N6O3/c1-4-33-23(32)21-20(15(3)30(28-21)16-11-9-14(2)10-12-16)22(31)18-13-29-19-8-6-5-7-17(19)25-24(29)27-26-18/h5-13H,4H2,1-3H3
InChIKey SZPGYDWCFICCSE-UHFFFAOYSA-N
Instrument Name GC??MS QP1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3415
Molecular Weight 440.463 g/mol
SMILES c1(n[n](c(c1C(=O)C=1N=Nc2[n](C1)c1c(n2)cccc1)C)-c1ccc(cc1)C)C(OCC)=O
SPLASH splash10-000x-9500100000-662236ff8f92c9b9bb1d
Source of Spectrum Y-56-429-7b
Wiley ID 1859370