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3-[1-(p-Tolyl)-3-ethoxycarbonyl-5-methyl-1H-pyrazole-4-carbonyl]-7-phenyl-pyrazolo[5,1-c][1,2,4]triazine
SpectraBase Compound ID GjBeGjIAJuj
InChI InChI=1S/C26H22N6O3/c1-4-35-26(34)24-23(17(3)32(30-24)19-12-10-16(2)11-13-19)25(33)21-15-31-22(28-27-21)14-20(29-31)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3
InChIKey WBTXRGPCSXDFOG-UHFFFAOYSA-N
Mol Weight 466.5 g/mol
Molecular Formula C26H22N6O3
Exact Mass 466.175339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VrbAVYTMQ3
Name 3-[1-(p-Tolyl)-3-ethoxycarbonyl-5-methyl-1H-pyrazole-4-carbonyl]-7-phenyl-pyrazolo[5,1-c][1,2,4]triazine
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N6O3
InChI InChI=1S/C26H22N6O3/c1-4-35-26(34)24-23(17(3)32(30-24)19-12-10-16(2)11-13-19)25(33)21-15-31-22(28-27-21)14-20(29-31)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3
InChIKey WBTXRGPCSXDFOG-UHFFFAOYSA-N
Instrument Name GC??MS QP1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3415
Molecular Weight 466.501 g/mol
SMILES c1(n[n](c(c1C(=O)C=1N=Nc2[n](C1)nc(c2)-c1ccccc1)C)-c1ccc(cc1)C)C(OCC)=O
SPLASH splash10-00mx-9702200000-66a9cb55bbf059f7cb58
Source of Spectrum Y-56-430-8b
Wiley ID 1859375