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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(E)-(3-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 4O3UpuHxByS
InChI InChI=1S/C20H24FN9O2/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/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H2,22,26)(H,25,31)/b23-11+
InChIKey YEUPLDLKXXPSEE-FOKLQQMPSA-N
Mol Weight 441.47 g/mol
Molecular Formula C20H24FN9O2
Exact Mass 441.203699 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E7rstl6ScNU
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(E)-(3-fluorophenyl)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/C20H24FN9O2/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/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H2,22,26)(H,25,31)/b23-11+
InChIKey YEUPLDLKXXPSEE-FOKLQQMPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13124
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: D79998; Labnumber: NIG2-0498; SBI_ID: SBI-013127
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(3-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature 315 °C