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3,5-Dinitro-benzoic acid, methyl ester

Compound with spectra: 7 NMR, 2 FTIR, and 2 MS (GC)

3,5-Dinitro-benzoic acid, methyl ester
SpectraBase Compound ID mkTWhPnb6v
InChI InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3
InChIKey POGCCFLNFPIIGW-UHFFFAOYSA-N
Mol Weight 226.14 g/mol
Molecular Formula C8H6N2O6
Exact Mass 226.022586 g/mol

View Spectrum of 3,5-Dinitro-benzoic acid, methyl ester

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.

View Spectrum of 3,5-Dinitro-benzoic acid, methyl ester

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Acetone

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

View Spectrum of 3,5-Dinitro-benzoic acid, methyl ester

13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 386367
Solvent CDCl3

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1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample A. Van Camp, Eli Lilly & Company, Indianapolis, Indiana
Solvent CDCl3

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1H NMR Spectrum
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
Solvent DMSO-d6

View Spectrum of 3,5-Dinitro-benzoic acid, methyl ester

1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 386367
Solvent CDCl3

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample A. Van Camp, Eli Lilly & Company, Indianapolis, Indiana
Technique KBr WAFER

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MS (GC) Spectrum
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS

View Spectrum of 3,5-Dinitro-benzoic acid, methyl ester

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum CRT-10-1413-EST.

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ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 386367
  • benzoic acid, 3,5-dinitro-, methyl ester
  • POGCCFLNFPIIGW-UHFFFAOYSA-N
  • Methyl 3,5-dinitro benzoate
  • NSC 7317
(Monodeuterio)-methyl 3,5-dinitrobenzoate
(Z)-prop-1-enyl 3-nitrobenzoate
(E)-prop-1-enyl 3-nitrobenzoate
Isobutyl 3-nitrobenzoate
benzoic acid, 3-hydroxy-5-nitro-
3-chloro-1-butanol, 3,5-dinitrobenzoate
3-chloro-1-pentanol, 3,5-dinitrobenzoate
3,5-dinitrobenzoic acid, isopentyl ester
3,5-dinitrobenzoic acid, pentyl ester
3,5-dinitrobenzoic acid, octyl ester
3,5-dinitrobenzoic acid, hexyl ester
Methyl 3,5-dinitro benzoate
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