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(4Z)-5-methyl-4-{[2-methyl-5-({(Z)-[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)anilino]methylene}-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 1MuMB8oYmkL
InChI InChI=1S/C29H20Cl6N6O2/c1-13-4-5-18(36-11-19-14(2)38-40(28(19)42)26-21(32)6-16(30)7-22(26)33)10-25(13)37-12-20-15(3)39-41(29(20)43)27-23(34)8-17(31)9-24(27)35/h4-12,36-37H,1-3H3/b19-11-,20-12-
InChIKey WAYYGGMAJRPAAI-YZLQMOBTSA-N
Mol Weight 697.2 g/mol
Molecular Formula C29H20Cl6N6O2
Exact Mass 693.97789 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4bIQcb46y4q
Name (4Z)-5-methyl-4-{[2-methyl-5-({(Z)-[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)anilino]methylene}-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H20Cl6N6O2/c1-13-4-5-18(36-11-19-14(2)38-40(28(19)42)26-21(32)6-16(30)7-22(26)33)10-25(13)37-12-20-15(3)39-41(29(20)43)27-23(34)8-17(31)9-24(27)35/h4-12,36-37H,1-3H3/b19-11-,20-12-
InChIKey WAYYGGMAJRPAAI-YZLQMOBTSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4292
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8116950; UBI_ID: UBI-004293
Synonyms 5-methyl-4-{[2-methyl-5-({[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)anilino]methylene}-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C