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4-(2-(4-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)-5-methyl-1H-pyrazol-3-yl)-hydrazono)-1,7-bis(4-hydroxy-3-methoxyphenyl)-hepta-1,6-diene-3,5-dione
SpectraBase Compound ID 1URaHqOsYhH
InChI InChI=1S/C36H34N8O7/c1-21-32(38-39-33-22(2)43(3)44(36(33)49)25-9-7-6-8-10-25)35(41-37-21)42-40-34(28(47)17-13-23-11-15-26(45)30(19-23)50-4)29(48)18-14-24-12-16-27(46)31(20-24)51-5/h6-20,45-46H,1-5H3,(H2,37,41,42)/b17-13+,18-14+,39-38+
InChIKey XFPVLYLOBSTETG-RXFKEYBNSA-N
Mol Weight 690.7 g/mol
Molecular Formula C36H34N8O7
Exact Mass 690.255045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65BDkEdwcfY
Name 4-(2-(4-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)-5-methyl-1H-pyrazol-3-yl)-hydrazono)-1,7-bis(4-hydroxy-3-methoxyphenyl)-hepta-1,6-diene-3,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H34N8O7
InChI InChI=1S/C36H34N8O7/c1-21-32(38-39-33-22(2)43(3)44(36(33)49)25-9-7-6-8-10-25)35(41-37-21)42-40-34(28(47)17-13-23-11-15-26(45)30(19-23)50-4)29(48)18-14-24-12-16-27(46)31(20-24)51-5/h6-20,45-46H,1-5H3,(H2,37,41,42)/b17-13+,18-14+,39-38+
InChIKey XFPVLYLOBSTETG-RXFKEYBNSA-N
Literature Reference DOI 10.1002/ardp.201300203
Molecular Weight 690.717 g/mol
SMILES Oc1c(cc(\C=C\C(C(=NNc2n[nH]c(c2\N=N\C2=C(N(N(C2=O)c2ccccc2)C)C)C)C(\C=C\c2ccc(c(c2)OC)O)=O)=O)cc1)OC
SPLASH splash10-03di-6922530000-61c39032570065ceba0b
Source of Spectrum APC-347-130-7
Synonyms (1E,6E)-4-(2-(4-((E)-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)-5-methyl-1H-pyrazol-3-yl)hydrazono)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Wiley ID 1769583