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

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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(methylanilino)methyl]-N'-[(E)-(4-methylphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID JKUn7cO6YM9
InChI InChI=1S/C21H21N9O2/c1-14-8-10-15(11-9-14)12-23-25-21(31)18-17(13-29(2)16-6-4-3-5-7-16)30(28-24-18)20-19(22)26-32-27-20/h3-12H,13H2,1-2H3,(H2,22,26)(H,25,31)/b23-12+
InChIKey PQUORRKCZFOCRL-FSJBWODESA-N
Mol Weight 431.46 g/mol
Molecular Formula C21H21N9O2
Exact Mass 431.181821 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KjDDWCD9xjF
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(methylanilino)methyl]-N'-[(E)-(4-methylphenyl)methylidene]-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/C21H21N9O2/c1-14-8-10-15(11-9-14)12-23-25-21(31)18-17(13-29(2)16-6-4-3-5-7-16)30(28-24-18)20-19(22)26-32-27-20/h3-12H,13H2,1-2H3,(H2,22,26)(H,25,31)/b23-12+
InChIKey PQUORRKCZFOCRL-FSJBWODESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8462
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: E12197; Labnumber: MROZ-1229; SBI_ID: SBI-008465
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(methylanilino)methyl]-N'-[(4-methylphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C