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

SpectraBase Compound ID	5CmbKn0YrgA
InChI	InChI=1S/C41H43Cl3N6O5/c1-8-40(3,4)25-13-18-33(30(20-25)41(5,6)9-2)55-23-34(51)45-28-12-10-11-24(19-28)38(52)46-37-35(48-47-27-14-16-29(54-7)17-15-27)39(53)50(49-37)36-31(43)21-26(42)22-32(36)44/h10-22,53H,8-9,23H2,1-7H3,(H,45,51)(H,46,49,52)/b48-47+
InChIKey	GLSRQNQWXNICNX-QJGAVIKSSA-N Google Search
Mol Weight	806.2 g/mol
Molecular Formula	C41H43Cl3N6O5
Exact Mass	804.236052 g/mol

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SpectraBase Spectrum ID	4bDXlAaE2GS
Name	3-{[(2,4-ditert-pentylphenoxy)acetyl]amino}-N-[5-hydroxy-4-[(E)-(4-methoxyphenyl)diazenyl]-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/C41H43Cl3N6O5/c1-8-40(3,4)25-13-18-33(30(20-25)41(5,6)9-2)55-23-34(51)45-28-12-10-11-24(19-28)38(52)46-37-35(48-47-27-14-16-29(54-7)17-15-27)39(53)50(49-37)36-31(43)21-26(42)22-32(36)44/h10-22,53H,8-9,23H2,1-7H3,(H,45,51)(H,46,49,52)/b48-47+
InChIKey	GLSRQNQWXNICNX-QJGAVIKSSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_144
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: /VSVE0061390; UBI_ID: UBI-000145
Synonyms	3-{[(2,4-ditert-pentylphenoxy)acetyl]amino}-N-[5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide
Temperature	308 °C