3-{[(2,4-ditert-pentylphenoxy)acetyl]amino}-N-[5-hydroxy-4-[(E)-1-naphthyldiazenyl]-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide

SpectraBase Compound ID	JIAswu7wpuF
InChI	InChI=1S/C44H43Cl3N6O4/c1-7-43(3,4)28-19-20-36(32(22-28)44(5,6)8-2)57-25-37(54)48-30-16-11-15-27(21-30)41(55)49-40-38(51-50-35-18-12-14-26-13-9-10-17-31(26)35)42(56)53(52-40)39-33(46)23-29(45)24-34(39)47/h9-24,56H,7-8,25H2,1-6H3,(H,48,54)(H,49,52,55)/b51-50+
InChIKey	UDEQOLHDZWWYMO-VPWQGRENSA-N Google Search
Mol Weight	826.2 g/mol
Molecular Formula	C44H43Cl3N6O4
Exact Mass	824.241137 g/mol

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SpectraBase Spectrum ID	EoSyou1ZwhW
Name	3-{[(2,4-ditert-pentylphenoxy)acetyl]amino}-N-[5-hydroxy-4-[(E)-1-naphthyldiazenyl]-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide
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/C44H43Cl3N6O4/c1-7-43(3,4)28-19-20-36(32(22-28)44(5,6)8-2)57-25-37(54)48-30-16-11-15-27(21-30)41(55)49-40-38(51-50-35-18-12-14-26-13-9-10-17-31(26)35)42(56)53(52-40)39-33(46)23-29(45)24-34(39)47/h9-24,56H,7-8,25H2,1-6H3,(H,48,54)(H,49,52,55)/b51-50+
InChIKey	UDEQOLHDZWWYMO-VPWQGRENSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_141
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: /VSVE0061386; UBI_ID: UBI-000142
Synonyms	3-{[(2,4-ditert-pentylphenoxy)acetyl]amino}-N-[5-hydroxy-4-[1-naphthyldiazenyl]-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide
Temperature	308 °C