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Benzoic acid, 2,4-dinitro-, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Benzoic acid, 2,4-dinitro-, methyl ester
SpectraBase Compound ID 8a0hJv3EN3m
InChI InChI=1S/C8H6N2O6/c1-16-8(11)6-3-2-5(9(12)13)4-7(6)10(14)15/h2-4H,1H3
InChIKey WEUVWLHWKLGWBJ-UHFFFAOYSA-N
Mol Weight 226.14 g/mol
Molecular Formula C8H6N2O6
Exact Mass 226.022586 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IQxOBoCxmds
Name Benzoic acid, 2,4-dinitro-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.022585915 u
Formula C8H6N2O6
InChI InChI=1S/C8H6N2O6/c1-16-8(11)6-3-2-5(9(12)13)4-7(6)10(14)15/h2-4H,1H3
InChIKey WEUVWLHWKLGWBJ-UHFFFAOYSA-N
Molecular Weight 226.144 g/mol
SMILES C(OC)(=O)C1=C(N(=O)=O)C=C(C=C1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940243