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4H-1,2,4-triazol-4-amine, N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-
SpectraBase Compound ID HcCqY8im1cj
InChI InChI=1S/C10H7N5O4/c16-15(17)8-2-10-9(18-6-19-10)1-7(8)3-13-14-4-11-12-5-14/h1-5H,6H2/b13-3+
InChIKey XQFKDVFIDIPOAA-QLKAYGNNSA-N
Mol Weight 261.2 g/mol
Molecular Formula C10H7N5O4
Exact Mass 261.049804 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gxv5rciTSsU
Name 4H-1,2,4-triazol-4-amine, N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)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/C10H7N5O4/c16-15(17)8-2-10-9(18-6-19-10)1-7(8)3-13-14-4-11-12-5-14/h1-5H,6H2/b13-3+
InChIKey XQFKDVFIDIPOAA-QLKAYGNNSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_29
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: AG-205/5103009; Labnumber: SAD-1948st; IOH_ID: IOH-007030