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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide

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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID C8ZAwVxyp8r
InChI InChI=1S/C15H15ClFN9O2/c1-25(2)7-11-12(20-24-26(11)14-13(18)22-28-23-14)15(27)21-19-6-8-9(16)4-3-5-10(8)17/h3-6H,7H2,1-2H3,(H2,18,22)(H,21,27)/b19-6+
InChIKey GKSRWBJZBWLOQK-KPSZGOFPSA-N
Mol Weight 407.8 g/mol
Molecular Formula C15H15ClFN9O2
Exact Mass 407.102127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3ILONWKKfyG
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-[(dimethylamino)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/C15H15ClFN9O2/c1-25(2)7-11-12(20-24-26(11)14-13(18)22-28-23-14)15(27)21-19-6-8-9(16)4-3-5-10(8)17/h3-6H,7H2,1-2H3,(H2,18,22)(H,21,27)/b19-6+
InChIKey GKSRWBJZBWLOQK-KPSZGOFPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3490
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: D11963; Labnumber: NIG-4552; SBI_ID: SBI-003492
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(2-chloro-6-fluorophenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Temperature 315 °C