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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-chlorophenyl)methylidene]-5-[(methylanilino)methyl]-1H-1,2,3-triazole-4-carbohydrazide

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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-chlorophenyl)methylidene]-5-[(methylanilino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 7uxhNQHWsuU
InChI InChI=1S/C20H18ClN9O2/c1-29(15-8-3-2-4-9-15)12-16-17(24-28-30(16)19-18(22)26-32-27-19)20(31)25-23-11-13-6-5-7-14(21)10-13/h2-11H,12H2,1H3,(H2,22,26)(H,25,31)/b23-11+
InChIKey AXMLMPIILLUKMZ-FOKLQQMPSA-N
Mol Weight 451.88 g/mol
Molecular Formula C20H18ClN9O2
Exact Mass 451.127199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4RvPitijAlN
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-chlorophenyl)methylidene]-5-[(methylanilino)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/C20H18ClN9O2/c1-29(15-8-3-2-4-9-15)12-16-17(24-28-30(16)19-18(22)26-32-27-19)20(31)25-23-11-13-6-5-7-14(21)10-13/h2-11H,12H2,1H3,(H2,22,26)(H,25,31)/b23-11+
InChIKey AXMLMPIILLUKMZ-FOKLQQMPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8491
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: E12227; Labnumber: MROZ-1282; SBI_ID: SBI-008494
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3-chlorophenyl)methylidene]-5-[(methylanilino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C