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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMdoin5egKB
Name Benzoic acid, 2,4-dinitro-, methyl ester
CAS Registry Number 18959-17-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 COC(c1ccc(cc1N(=O)=O)N(=O)=O)=O
SPLASH splash10-002b-9700000000-e730f7ee6c0a00f21009
Source of Spectrum EP-1092-0-0
Synonyms 2,4-Dinitrobenzoic acid methyl ester Methyl 2,4-dinitrobenzoate
Wiley ID 1226758