benzoic acid, 2-[(E)-[[[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazono]methyl]-

SpectraBase Compound ID	60RM3DKCerL
InChI	InChI=1S/C27H25N5O6S/c1-36-21-13-18(14-22(37-2)24(21)38-3)25-30-31-27(32(25)19-10-5-4-6-11-19)39-16-23(33)29-28-15-17-9-7-8-12-20(17)26(34)35/h4-15H,16H2,1-3H3,(H,29,33)(H,34,35)/b28-15+
InChIKey	CCXJELSOGPFHEP-RWPZCVJISA-N Google Search
Mol Weight	547.59 g/mol
Molecular Formula	C27H25N5O6S
Exact Mass	547.152555 g/mol

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SpectraBase Spectrum ID	5ik0J7lL3uT
Name	benzoic acid, 2-[(E)-[[[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazono]methyl]-
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/C27H25N5O6S/c1-36-21-13-18(14-22(37-2)24(21)38-3)25-30-31-27(32(25)19-10-5-4-6-11-19)39-16-23(33)29-28-15-17-9-7-8-12-20(17)26(34)35/h4-15H,16H2,1-3H3,(H,29,33)(H,34,35)/b28-15+
InChIKey	CCXJELSOGPFHEP-RWPZCVJISA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_5345
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: NMR/10249774