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3-nitro-4-oxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-1-ide
SpectraBase Compound ID IYKblXuiEfu
InChI InChI=1S/C4H2N6O3/c11-3-2(10(12)13)7-8-4-5-1-6-9(3)4/h1H,(H,5,6,8,11)/p-1
InChIKey UQLHOSZRCAAYQK-UHFFFAOYSA-M
Mol Weight 181.09 g/mol
Molecular Formula C4HN6O3
Exact Mass 181.011013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8lVhrlPOHbF
Name 3-nitro-4-oxo-4H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-1-ide
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/C4H2N6O3/c11-3-2(10(12)13)7-8-4-5-1-6-9(3)4/h1H,(H,5,6,8,11)/p-1
InChIKey UQLHOSZRCAAYQK-UHFFFAOYSA-M
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_755
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: NMR/8255140; Labnumber: AZ-CEV3026; IOH_ID: IOH-000756
Temperature 303 °C