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

SpectraBase Compound ID	1CoMA1CUAbJ
InChI	InChI=1S/C22H21ClFN9O3/c1-32(2)11-18-19(27-31-33(18)21-20(25)29-36-30-21)22(34)28-26-10-13-6-8-14(9-7-13)35-12-15-16(23)4-3-5-17(15)24/h3-10H,11-12H2,1-2H3,(H2,25,29)(H,28,34)/b26-10+
InChIKey	XNXUZYGOMNVGAI-NSKAYECMSA-N Google Search
Mol Weight	513.92 g/mol
Molecular Formula	C22H21ClFN9O3
Exact Mass	513.143991 g/mol

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SpectraBase Spectrum ID	IxYHUwOHdXk
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-[(dimethylamino)methyl]-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/C22H21ClFN9O3/c1-32(2)11-18-19(27-31-33(18)21-20(25)29-36-30-21)22(34)28-26-10-13-6-8-14(9-7-13)35-12-15-16(23)4-3-5-17(15)24/h3-10H,11-12H2,1-2H3,(H2,25,29)(H,28,34)/b26-10+
InChIKey	XNXUZYGOMNVGAI-NSKAYECMSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_23249
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: D37300; Labnumber: NIG1-2615; SBI_ID: SBI-023253
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-({4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Temperature	315 °C