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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID CXgt6VJWGQ4
InChI InChI=1S/C21H17F3N8O3/c1-2-34-14-9-7-12(8-10-14)17-16(27-31-32(17)19-18(25)29-35-30-19)20(33)28-26-11-13-5-3-4-6-15(13)21(22,23)24/h3-11H,2H2,1H3,(H2,25,29)(H,28,33)/b26-11+
InChIKey RUHNKUYPGWICJW-KBKYJPHKSA-N
Mol Weight 486.42 g/mol
Molecular Formula C21H17F3N8O3
Exact Mass 486.137571 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KgvMF6FO3Nj
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-{(E)-[2-(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/C21H17F3N8O3/c1-2-34-14-9-7-12(8-10-14)17-16(27-31-32(17)19-18(25)29-35-30-19)20(33)28-26-11-13-5-3-4-6-15(13)21(22,23)24/h3-11H,2H2,1H3,(H2,25,29)(H,28,33)/b26-11+
InChIKey RUHNKUYPGWICJW-KBKYJPHKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12219
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: D59405; Labnumber: NIG1-2535; SBI_ID: SBI-012222
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-{[2-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C