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

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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 4WMueHP7VDS
InChI InChI=1S/C21H21N9O2/c1-13-4-8-15(9-5-13)18-17(24-28-30(18)20-19(22)26-32-27-20)21(31)25-23-12-14-6-10-16(11-7-14)29(2)3/h4-12H,1-3H3,(H2,22,26)(H,25,31)/b23-12+
InChIKey VQRHHNJWDGZIJW-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 1Mk9lsjLP9c
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-5-(4-methylphenyl)-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/c1-13-4-8-15(9-5-13)18-17(24-28-30(18)20-19(22)26-32-27-20)21(31)25-23-12-14-6-10-16(11-7-14)29(2)3/h4-12H,1-3H3,(H2,22,26)(H,25,31)/b23-12+
InChIKey VQRHHNJWDGZIJW-FSJBWODESA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23227
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: D37260; Labnumber: NIG1-2477; SBI_ID: SBI-023231
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{[4-(dimethylamino)phenyl]methylidene}-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Temperature 315 °C