N-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenyl}acetamide

SpectraBase Compound ID	JTcDXDjWwCC
InChI	InChI=1S/C21H17N9O5/c1-11(31)24-14-5-2-12(3-6-14)9-23-26-21(32)17-18(13-4-7-15-16(8-13)34-10-33-15)30(29-25-17)20-19(22)27-35-28-20/h2-9H,10H2,1H3,(H2,22,27)(H,24,31)(H,26,32)/b23-9+
InChIKey	YJLDTWHDIQJLIK-NUGSKGIGSA-N Google Search
Mol Weight	475.43 g/mol
Molecular Formula	C21H17N9O5
Exact Mass	475.135265 g/mol

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SpectraBase Spectrum ID	9Z9IxmUjlgk
Name	N-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenyl}acetamide
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/C21H17N9O5/c1-11(31)24-14-5-2-12(3-6-14)9-23-26-21(32)17-18(13-4-7-15-16(8-13)34-10-33-15)30(29-25-17)20-19(22)27-35-28-20/h2-9H,10H2,1H3,(H2,22,27)(H,24,31)(H,26,32)/b23-9+
InChIKey	YJLDTWHDIQJLIK-NUGSKGIGSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13780
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: D90292; Labnumber: MROZ-1614; SBI_ID: SBI-013783
Synonyms	N-{4-[(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenyl}acetamide
Temperature	318 °C