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5-methyl-2,4-dinitrobenzoic acid
SpectraBase Compound ID IAgtskYcBag
InChI InChI=1S/C8H6N2O6/c1-4-2-5(8(11)12)7(10(15)16)3-6(4)9(13)14/h2-3H,1H3,(H,11,12)
InChIKey SESSPRSOEAVOMC-UHFFFAOYSA-N
Mol Weight 226.14 g/mol
Molecular Formula C8H6N2O6
Exact Mass 226.022586 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IqGeO8kXiiW
Name 5-methyl-2,4-dinitrobenzoic 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/C8H6N2O6/c1-4-2-5(8(11)12)7(10(15)16)3-6(4)9(13)14/h2-3H,1H3,(H,11,12)
InChIKey SESSPRSOEAVOMC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_2802
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: AG-205/4090244; Labnumber: 9501-0011; IOH_ID: IOH-002803
Temperature 303 °C