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

SpectraBase Compound ID	9Dao6Q27QD8
InChI	InChI=1S/C22H20ClFN8O3/c1-12(2)19-18(27-31-32(19)21-20(25)29-35-30-21)22(33)28-26-10-13-5-3-6-14(9-13)34-11-15-16(23)7-4-8-17(15)24/h3-10,12H,11H2,1-2H3,(H2,25,29)(H,28,33)/b26-10+
InChIKey	CEXPFGIJHUDJCL-NSKAYECMSA-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	5fRx0qMuaAU
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-isopropyl-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/c1-12(2)19-18(27-31-32(19)21-20(25)29-35-30-21)22(33)28-26-10-13-5-3-6-14(9-13)34-11-15-16(23)7-4-8-17(15)24/h3-10,12H,11H2,1-2H3,(H2,25,29)(H,28,33)/b26-10+
InChIKey	CEXPFGIJHUDJCL-NSKAYECMSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_23328
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: D37435; Labnumber: NIG1-3011; SBI_ID: SBI-023332
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-({3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide
Temperature	315 °C