acetic acid, [[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-fluorophenyl)ethylidene]hydrazide

SpectraBase Compound ID	29Q4IMuS3uW
InChI	InChI=1S/C21H22FN5O2S/c1-4-27-20(16-7-11-18(29-3)12-8-16)25-26-21(27)30-13-19(28)24-23-14(2)15-5-9-17(22)10-6-15/h5-12H,4,13H2,1-3H3,(H,24,28)/b23-14+
InChIKey	KUULRZNSXSWRRJ-OEAKJJBVSA-N Google Search
Mol Weight	427.5 g/mol
Molecular Formula	C21H22FN5O2S
Exact Mass	427.147824 g/mol

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SpectraBase Spectrum ID	4cQuVWNmoBA
Name	acetic acid, [[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-fluorophenyl)ethylidene]hydrazide
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/C21H22FN5O2S/c1-4-27-20(16-7-11-18(29-3)12-8-16)25-26-21(27)30-13-19(28)24-23-14(2)15-5-9-17(22)10-6-15/h5-12H,4,13H2,1-3H3,(H,24,28)/b23-14+
InChIKey	KUULRZNSXSWRRJ-OEAKJJBVSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_5730
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/10259023