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(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid

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(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid
SpectraBase Compound ID qKZIHAKcG
InChI InChI=1S/C6H6ClN3O4/c1-3-5(7)6(10(13)14)8-9(3)2-4(11)12/h2H2,1H3,(H,11,12)
InChIKey ARQFVRQZKJYVKU-UHFFFAOYSA-N
Mol Weight 219.58 g/mol
Molecular Formula C6H6ClN3O4
Exact Mass 219.004683 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ElRP11IbSmA
Name 1H-pyrazole-1-acetic acid, 4-chloro-5-methyl-3-nitro-
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/C6H6ClN3O4/c1-3-5(7)6(10(13)14)8-9(3)2-4(11)12/h2H2,1H3,(H,11,12)
InChIKey ARQFVRQZKJYVKU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7934
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/003003; IOH_ID: IOH-014939