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7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine, 3-[[(3-bromophenyl)methyl]thio]-N-[(E)-(4-fluorophenyl)methylidene]-
SpectraBase Compound ID 5doH9whd5n7
InChI InChI=1S/C17H12BrFN6S/c18-14-3-1-2-13(8-14)10-26-17-23-22-16-24(11-21-25(16)17)20-9-12-4-6-15(19)7-5-12/h1-9,11H,10H2/b20-9+
InChIKey ADVWGLXNSGZGHK-AWQFTUOYSA-N
Mol Weight 431.29 g/mol
Molecular Formula C17H12BrFN6S
Exact Mass 430.001157 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DGfhMRH2UM3
Name 7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine, 3-[[(3-bromophenyl)methyl]thio]-N-[(E)-(4-fluorophenyl)methylidene]-
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/C17H12BrFN6S/c18-14-3-1-2-13(8-14)10-26-17-23-22-16-24(11-21-25(16)17)20-9-12-4-6-15(19)7-5-12/h1-9,11H,10H2/b20-9+
InChIKey ADVWGLXNSGZGHK-AWQFTUOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_6121
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: L-42/0001841; IOH_ID: IOH-013124