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

SpectraBase Compound ID	KK5m8bnTlVX
InChI	InChI=1S/C30H31N5O4S/c1-20-9-15-24(16-10-20)35-28(21-11-13-23(14-12-21)30(2,3)4)33-34-29(35)40-19-26(36)32-31-17-22-7-5-6-8-25(22)39-18-27(37)38/h5-17H,18-19H2,1-4H3,(H,32,36)(H,37,38)/b31-17+
InChIKey	FKNVCUUBCUVVGF-KBVAKVRCSA-N Google Search
Mol Weight	557.67 g/mol
Molecular Formula	C30H31N5O4S
Exact Mass	557.209676 g/mol

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SpectraBase Spectrum ID	9zuxX65CUoQ
Name	(2-{(E)-[({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic 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/C30H31N5O4S/c1-20-9-15-24(16-10-20)35-28(21-11-13-23(14-12-21)30(2,3)4)33-34-29(35)40-19-26(36)32-31-17-22-7-5-6-8-25(22)39-18-27(37)38/h5-17H,18-19H2,1-4H3,(H,32,36)(H,37,38)/b31-17+
InChIKey	FKNVCUUBCUVVGF-KBVAKVRCSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_6696
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: D23982; Labnumber: GRES-01706; SBI_ID: SBI-006699
Synonyms	(2-{[({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)acetic acid
Temperature	318 °C