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Benzoic acid, 2,6-dimethyl-3,5-dinitro-
SpectraBase Compound ID 6Q4zvaps6gT
InChI InChI=1S/C9H8N2O6/c1-4-6(10(14)15)3-7(11(16)17)5(2)8(4)9(12)13/h3H,1-2H3,(H,12,13)
InChIKey JLANLQYZMDREKU-UHFFFAOYSA-N
Mol Weight 240.17 g/mol
Molecular Formula C9H8N2O6
Exact Mass 240.038236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qxSvc1CiqI
Name Benzoic acid, 2,6-dimethyl-3,5-dinitro-
Alternate Name(s) 2,6-Dimethyl-3,5-dinitrobenzoic acid
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Formula C9H8N2O6
InChI InChI=1S/C9H8N2O6/c1-4-6(10(14)15)3-7(11(16)17)5(2)8(4)9(12)13/h3H,1-2H3,(H,12,13)
InChIKey JLANLQYZMDREKU-UHFFFAOYSA-N
Molecular Weight 240.171 g/mol
SMILES OC(c1c(C)c(cc([N+]([O-])=O)c1C)[N+]([O-])=O)=O
SPLASH splash10-0v03-9200000000-64a8c8efc7b3d1af58e4
Source of Spectrum JX-2015-1-243
Wiley ID 1721091