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4-(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid

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4-(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanoic acid
SpectraBase Compound ID AcSjB0CbOxq
InChI InChI=1S/C8H10ClN3O4/c1-5-7(9)8(12(15)16)10-11(5)4-2-3-6(13)14/h2-4H2,1H3,(H,13,14)
InChIKey UHDDZDBGJPLMET-UHFFFAOYSA-N
Mol Weight 247.64 g/mol
Molecular Formula C8H10ClN3O4
Exact Mass 247.035984 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1uPj9FQEXk9
Name 1H-pyrazole-1-butanoic 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/C8H10ClN3O4/c1-5-7(9)8(12(15)16)10-11(5)4-2-3-6(13)14/h2-4H2,1H3,(H,13,14)
InChIKey UHDDZDBGJPLMET-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_8113
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/001999; IOH_ID: IOH-015118