methyl 4-[(E)-({[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]benzoate

SpectraBase Compound ID	7bqdCmVR9MJ
InChI	InChI=1S/C21H16N8O6/c1-32-21(31)12-4-2-11(3-5-12)9-23-25-20(30)16-17(13-6-7-14-15(8-13)34-10-33-14)29(28-24-16)19-18(22)26-35-27-19/h2-9H,10H2,1H3,(H2,22,26)(H,25,30)/b23-9+
InChIKey	VGGWTYSNJCVMDQ-NUGSKGIGSA-N Google Search
Mol Weight	476.41 g/mol
Molecular Formula	C21H16N8O6
Exact Mass	476.11928 g/mol

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SpectraBase Spectrum ID	DA4VgonkFIP
Name	methyl 4-[(E)-({[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]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/C21H16N8O6/c1-32-21(31)12-4-2-11(3-5-12)9-23-25-20(30)16-17(13-6-7-14-15(8-13)34-10-33-14)29(28-24-16)19-18(22)26-35-27-19/h2-9H,10H2,1H3,(H2,22,26)(H,25,30)/b23-9+
InChIKey	VGGWTYSNJCVMDQ-NUGSKGIGSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13771
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: D90280; Labnumber: MROZ-1597; SBI_ID: SBI-013774
Synonyms	methyl 4-[({[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]benzoate
Temperature	318 °C