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acetic acid, [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]-
SpectraBase Compound ID GUKFcveVSBE
InChI InChI=1S/C6H7N3O4S/c1-3-5(9(12)13)6(8-7-3)14-2-4(10)11/h2H2,1H3,(H,7,8)(H,10,11)
InChIKey JGDROEATVKVVNF-UHFFFAOYSA-N
Mol Weight 217.2 g/mol
Molecular Formula C6H7N3O4S
Exact Mass 217.015727 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GGvXHktTvcx
Name acetic acid, [(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]-
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/C6H7N3O4S/c1-3-5(9(12)13)6(8-7-3)14-2-4(10)11/h2H2,1H3,(H,7,8)(H,10,11)
InChIKey JGDROEATVKVVNF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7622
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/12238942