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3-{[(1-ethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}benzoic acid
SpectraBase Compound ID IkGhGvukuOb
InChI InChI=1S/C13H12N4O5/c1-2-16-7-10(17(21)22)11(15-16)12(18)14-9-5-3-4-8(6-9)13(19)20/h3-7H,2H2,1H3,(H,14,18)(H,19,20)
InChIKey WPSFLFYMACFRQC-UHFFFAOYSA-N
Mol Weight 304.26 g/mol
Molecular Formula C13H12N4O5
Exact Mass 304.080769 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H1ixspg13R1
Name 3-{[(1-ethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}benzoic acid
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/C13H12N4O5/c1-2-16-7-10(17(21)22)11(15-16)12(18)14-9-5-3-4-8(6-9)13(19)20/h3-7H,2H2,1H3,(H,14,18)(H,19,20)
InChIKey WPSFLFYMACFRQC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3363
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: UZI/9127556; Labnumber: BAC_UAMK/008991; UZI_ID: UZI-003365
Temperature 318 °C