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3,5-Dinitro-benzoic acid, methyl ester

View entire 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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6lirSOsPmZS
Name Methyl 3,5-dinitrobenzoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 386367
CAS Registry Number 2702-58-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O6
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
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3,5-Dinitrobenzoic acid methyl ester; NSC 7317
Wiley ID SIAL_13CNMR_008418