1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-propyl-1H-1,2,3-triazole-4-carbohydrazide

SpectraBase Compound ID	8vgi60yfx0y
InChI	InChI=1S/C22H20ClFN8O3/c1-2-6-17-19(27-31-32(17)21-20(25)29-35-30-21)22(33)28-26-11-13-7-3-4-10-18(13)34-12-14-15(23)8-5-9-16(14)24/h3-5,7-11H,2,6,12H2,1H3,(H2,25,29)(H,28,33)/b26-11+
InChIKey	HPGFFPJMWBGSLE-KBKYJPHKSA-N Google Search
Mol Weight	498.91 g/mol
Molecular Formula	C22H20ClFN8O3
Exact Mass	498.133092 g/mol

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SpectraBase Spectrum ID	bt17vQFZBV
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
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/C22H20ClFN8O3/c1-2-6-17-19(27-31-32(17)21-20(25)29-35-30-21)22(33)28-26-11-13-7-3-4-10-18(13)34-12-14-15(23)8-5-9-16(14)24/h3-5,7-11H,2,6,12H2,1H3,(H2,25,29)(H,28,33)/b26-11+
InChIKey	HPGFFPJMWBGSLE-KBKYJPHKSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28065
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: D80252; Labnumber: NIG2-1944; SBI_ID: SBI-028069
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-({2-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C