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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide

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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID Bj8Wnm4ES09
InChI InChI=1S/C20H13F3N8O4/c21-20(22,23)12-4-1-10(2-5-12)8-25-27-19(32)15-16(11-3-6-13-14(7-11)34-9-33-13)31(30-26-15)18-17(24)28-35-29-18/h1-8H,9H2,(H2,24,28)(H,27,32)/b25-8+
InChIKey OSDFZJXTRCOIOW-ZNLRHDTNSA-N
Mol Weight 486.37 g/mol
Molecular Formula C20H13F3N8O4
Exact Mass 486.101185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AUTofv5Yrkd
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-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/C20H13F3N8O4/c21-20(22,23)12-4-1-10(2-5-12)8-25-27-19(32)15-16(11-3-6-13-14(7-11)34-9-33-13)31(30-26-15)18-17(24)28-35-29-18/h1-8H,9H2,(H2,24,28)(H,27,32)/b25-8+
InChIKey OSDFZJXTRCOIOW-ZNLRHDTNSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13769
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: D90275; Labnumber: MROZ-1587; SBI_ID: SBI-013772
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-{[4-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C