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(E)-1,3-diamino-3-oxo-2-((4-(trifluoromethoxy)phenyl)diazenyl)propan-1-iminium chloride

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(E)-1,3-diamino-3-oxo-2-((4-(trifluoromethoxy)phenyl)diazenyl)propan-1-iminium chloride
SpectraBase Compound ID GXOwHf2mpM
InChI InChI=1S/C10H10F3N5O2.ClH/c11-10(12,13)20-6-3-1-5(2-4-6)17-18-7(8(14)15)9(16)19;/h1-4,7H,(H3,14,15)(H2,16,19);1H/b18-17+;
InChIKey GLXLWTRUQJLTKK-ZAGWXBKKSA-N
Mol Weight 325.68 g/mol
Molecular Formula C10H11ClF3N5O2
Exact Mass 325.055337 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5dr1SnTjDcH
Name (E)-1,3-diamino-3-oxo-2-((4-(trifluoromethoxy)phenyl)diazenyl)propan-1-iminium chloride
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/C10H10F3N5O2.ClH/c11-10(12,13)20-6-3-1-5(2-4-6)17-18-7(8(14)15)9(16)19;/h1-4,7H,(H3,14,15)(H2,16,19);1H/b18-17+;
InChIKey GLXLWTRUQJLTKK-ZAGWXBKKSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7666
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: ZERO/001729; IOH_ID: IOH-014671