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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID LeczZTt9cXJ
InChI InChI=1S/C20H15F3N8O2S/c21-20(22,23)13-8-6-12(7-9-13)10-25-27-19(32)16-15(11-34-14-4-2-1-3-5-14)31(30-26-16)18-17(24)28-33-29-18/h1-10H,11H2,(H2,24,28)(H,27,32)/b25-10+
InChIKey ASDAUCXDIWROGM-KIBLKLHPSA-N
Mol Weight 488.45 g/mol
Molecular Formula C20H15F3N8O2S
Exact Mass 488.099077 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DHXyzlOm3BT
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-N'-{(E)-[4-(trifluoromethyl)phenyl]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/C20H15F3N8O2S/c21-20(22,23)13-8-6-12(7-9-13)10-25-27-19(32)16-15(11-34-14-4-2-1-3-5-14)31(30-26-16)18-17(24)28-33-29-18/h1-10H,11H2,(H2,24,28)(H,27,32)/b25-10+
InChIKey ASDAUCXDIWROGM-KIBLKLHPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25167
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: D49296; Labnumber: NIG1-3330; SBI_ID: SBI-025171
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-N'-{[4-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 300 °C