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4-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid

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4-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid
SpectraBase Compound ID G3Khd9ryj9l
InChI InChI=1S/C9H13N3O4/c1-6-9(12(15)16)7(2)11(10-6)5-3-4-8(13)14/h3-5H2,1-2H3,(H,13,14)
InChIKey OKRDHPPYUAMLIR-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C9H13N3O4
Exact Mass 227.090606 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7C8AlOrkGZc
Name 1H-pyrazole-1-butanoic acid, 3,5-dimethyl-4-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/C9H13N3O4/c1-6-9(12(15)16)7(2)11(10-6)5-3-4-8(13)14/h3-5H2,1-2H3,(H,13,14)
InChIKey OKRDHPPYUAMLIR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7943
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/003140; IOH_ID: IOH-014948