2-{(E)-[({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazono]methyl}benzoic acid

SpectraBase Compound ID	LOY2n1Pff0j
InChI	InChI=1S/C20H15FN8O5/c21-12-5-7-13(8-6-12)33-10-15-16(24-28-29(15)18-17(22)26-34-27-18)19(30)25-23-9-11-3-1-2-4-14(11)20(31)32/h1-9H,10H2,(H2,22,26)(H,25,30)(H,31,32)/b23-9+
InChIKey	HJTVXZILCQJMME-NUGSKGIGSA-N Google Search
Mol Weight	466.39 g/mol
Molecular Formula	C20H15FN8O5
Exact Mass	466.114944 g/mol

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SpectraBase Spectrum ID	47igNQ6L8Bp
Name	2-{(E)-[({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazono]methyl}benzoic acid
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C20H15FN8O5/c21-12-5-7-13(8-6-12)33-10-15-16(24-28-29(15)18-17(22)26-34-27-18)19(30)25-23-9-11-3-1-2-4-14(11)20(31)32/h1-9H,10H2,(H2,22,26)(H,25,30)(H,31,32)/b23-9+
InChIKey	HJTVXZILCQJMME-NUGSKGIGSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_2800
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: D04591; Labnumber: NIG-2715; SBI_ID: SBI-002802
Synonyms	2-{[({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazono]methyl}benzoic acid
Temperature	318 °C