4-{(E)-[({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoic acid

SpectraBase Compound ID	JqkU7lKzdeH
InChI	InChI=1S/C29H29N5O3S/c1-19-5-15-24(16-6-19)34-26(21-11-13-23(14-12-21)29(2,3)4)32-33-28(34)38-18-25(35)31-30-17-20-7-9-22(10-8-20)27(36)37/h5-17H,18H2,1-4H3,(H,31,35)(H,36,37)/b30-17+
InChIKey	PXJMAMBMWXLEJG-OCSSWDANSA-N Google Search
Mol Weight	527.64 g/mol
Molecular Formula	C29H29N5O3S
Exact Mass	527.199111 g/mol

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SpectraBase Spectrum ID	EWhn2NFB01a
Name	4-{(E)-[({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoic acid
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/C29H29N5O3S/c1-19-5-15-24(16-6-19)34-26(21-11-13-23(14-12-21)29(2,3)4)32-33-28(34)38-18-25(35)31-30-17-20-7-9-22(10-8-20)27(36)37/h5-17H,18H2,1-4H3,(H,31,35)(H,36,37)/b30-17+
InChIKey	PXJMAMBMWXLEJG-OCSSWDANSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_633
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: C24594; Labnumber: UGRES-06297; SBI_ID: SBI-000635
Synonyms	4-{[({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoic acid
Temperature	308 °C