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(4-(4-(4-Hydroxy-3-methoxystyryl)-3-((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)-7-methylpyrazolo[5,1-c][1,2,4]-triazin-8-yl)diazenyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
SpectraBase Compound ID 14lqZ1izec2
InChI InChI=1S/C36H32N8O6/c1-21-32(37-38-33-22(2)42(3)44(36(33)48)25-9-7-6-8-10-25)35-40-39-34(29(47)18-14-24-13-17-28(46)31(20-24)50-5)26(43(35)41-21)15-11-23-12-16-27(45)30(19-23)49-4/h6-20,45-46H,1-5H3/b15-11+,18-14+,38-37+
InChIKey OJEWVUMHZAHTFW-OHJRIOCGSA-N
Mol Weight 672.7 g/mol
Molecular Formula C36H32N8O6
Exact Mass 672.244481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Imllh3g0d16
Name (4-(4-(4-Hydroxy-3-methoxystyryl)-3-((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)-7-methylpyrazolo[5,1-c][1,2,4]-triazin-8-yl)diazenyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H32N8O6
InChI InChI=1S/C36H32N8O6/c1-21-32(37-38-33-22(2)42(3)44(36(33)48)25-9-7-6-8-10-25)35-40-39-34(29(47)18-14-24-13-17-28(46)31(20-24)50-5)26(43(35)41-21)15-11-23-12-16-27(45)30(19-23)49-4/h6-20,45-46H,1-5H3/b15-11+,18-14+,38-37+
InChIKey OJEWVUMHZAHTFW-OHJRIOCGSA-N
Literature Reference DOI 10.1002/ardp.201300203
Molecular Weight 672.702 g/mol
SMILES Oc1ccc(\C=C\C2=C(C(\C=C\c3cc(c(cc3)O)OC)=O)N=Nc3[n]2nc(c3\N=N\C2=C(N(N(C2=O)c2ccccc2)C)C)C)cc1OC
SPLASH splash10-0udi-9101000000-70b4efabcacb5981403a
Source of Spectrum APC-347-130-11
Synonyms 4-((E)-(3-((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)-4-((E)-4-hydroxy-3-methoxystyryl)-7-methylpyrazolo[5,1-c][1,2,4]triazin-8-yl)diazenyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Wiley ID 1769569