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}-4-bromophenyl benzoate

SpectraBase Compound ID	KaUd9EdCsHo
InChI	InChI=1S/C26H18BrFN8O5/c27-17-6-11-21(40-26(38)15-4-2-1-3-5-15)16(12-17)13-30-32-25(37)22-20(14-39-19-9-7-18(28)8-10-19)36(35-31-22)24-23(29)33-41-34-24/h1-13H,14H2,(H2,29,33)(H,32,37)/b30-13+
InChIKey	GMYGIGFEFJGDAX-VVEOGCPPSA-N Google Search
Mol Weight	621.38 g/mol
Molecular Formula	C26H18BrFN8O5
Exact Mass	620.056757 g/mol

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SpectraBase Spectrum ID	8bdlfrtrhN4
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}-4-bromophenyl benzoate
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/C26H18BrFN8O5/c27-17-6-11-21(40-26(38)15-4-2-1-3-5-15)16(12-17)13-30-32-25(37)22-20(14-39-19-9-7-18(28)8-10-19)36(35-31-22)24-23(29)33-41-34-24/h1-13H,14H2,(H2,29,33)(H,32,37)/b30-13+
InChIKey	GMYGIGFEFJGDAX-VVEOGCPPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_20376
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: D16642; Labnumber: NIG-5007; SBI_ID: SBI-020380
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}-4-bromophenyl benzoate
Temperature	318 °C