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Methyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate

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Methyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
SpectraBase Compound ID HgwemSYYp1y
InChI InChI=1S/C5H6N4O4/c1-13-4(10)2-8-3-6-5(7-8)9(11)12/h3H,2H2,1H3
InChIKey XBISXCYXLGZZFH-UHFFFAOYSA-N
Mol Weight 186.13 g/mol
Molecular Formula C5H6N4O4
Exact Mass 186.038905 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HGYQNQPaur1
Name 1H-1,2,4-triazole-1-acetic acid, 3-nitro-, methyl ester
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/C5H6N4O4/c1-13-4(10)2-8-3-6-5(7-8)9(11)12/h3H,2H2,1H3
InChIKey XBISXCYXLGZZFH-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_7543
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/001497; IOH_ID: IOH-014547
Temperature 303 °C