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7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine, N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-(methylthio)-
SpectraBase Compound ID 8GGl3wdeufg
InChI InChI=1S/C12H9BrN6O2S/c1-22-12-17-16-11-18(5-15-19(11)12)14-4-7-2-9-10(3-8(7)13)21-6-20-9/h2-5H,6H2,1H3/b14-4+
InChIKey IWSIXGXRZBBPFD-LNKIKWGQSA-N
Mol Weight 381.21 g/mol
Molecular Formula C12H9BrN6O2S
Exact Mass 379.969108 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CSAPD4AbJHn
Name 7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine, N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-(methylthio)-
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/C12H9BrN6O2S/c1-22-12-17-16-11-18(5-15-19(11)12)14-4-7-2-9-10(3-8(7)13)21-6-20-9/h2-5H,6H2,1H3/b14-4+
InChIKey IWSIXGXRZBBPFD-LNKIKWGQSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_6461
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-42/0001923; IOH_ID: IOH-013465