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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID KRiYxT6fto9
InChI InChI=1S/C16H13ClFN11O2S/c1-28-7-21-24-16(28)32-6-11-12(22-27-29(11)14-13(19)25-31-26-14)15(30)23-20-5-8-9(17)3-2-4-10(8)18/h2-5,7H,6H2,1H3,(H2,19,25)(H,23,30)/b20-5+
InChIKey CXSZJVVZVWUWBM-DENHBWNVSA-N
Mol Weight 477.87 g/mol
Molecular Formula C16H13ClFN11O2S
Exact Mass 477.064696 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H1fmSNwINtM
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]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/C16H13ClFN11O2S/c1-28-7-21-24-16(28)32-6-11-12(22-27-29(11)14-13(19)25-31-26-14)15(30)23-20-5-8-9(17)3-2-4-10(8)18/h2-5,7H,6H2,1H3,(H2,19,25)(H,23,30)/b20-5+
InChIKey CXSZJVVZVWUWBM-DENHBWNVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28414
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: D81490; Labnumber: NIG2-2681; SBI_ID: SBI-028418
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(2-chloro-6-fluorophenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C