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2,4-Dinitrobenzoic acid, 2-ethoxycarbonyl-1-methylethyl ester
SpectraBase Compound ID 1ZSD99fNU4e
InChI InChI=1S/C13H14N2O8/c1-3-22-12(16)6-8(2)23-13(17)10-5-4-9(14(18)19)7-11(10)15(20)21/h4-5,7-8H,3,6H2,1-2H3
InChIKey WGKBFLVEYICCTB-UHFFFAOYSA-N
Mol Weight 326.26 g/mol
Molecular Formula C13H14N2O8
Exact Mass 326.075015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47HjeyILyq
Name 2,4-Dinitrobenzoic acid, 2-ethoxycarbonyl-1-methylethyl ester
Alternate Name(s) (3-ethoxy-1-methyl-3-oxo-propyl) 2,4-dinitrobenzoate (4-ethoxy-4-oxidanylidene-butan-2-yl) 2,4-dinitrobenzoate (4-ethoxy-4-oxobutan-2-yl) 2,4-dinitrobenzoate 2,4-Dinitrobenzoic acid (3-ethoxy-3-keto-1-methyl-propyl) ester 2,4-Dinitrobenzoic acid (4-ethoxy-4-oxobutan-2-yl) ester
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Formula C13H14N2O8
InChI InChI=1S/C13H14N2O8/c1-3-22-12(16)6-8(2)23-13(17)10-5-4-9(14(18)19)7-11(10)15(20)21/h4-5,7-8H,3,6H2,1-2H3
InChIKey WGKBFLVEYICCTB-UHFFFAOYSA-N
Molecular Weight 326.261 g/mol
SMILES C(=O)(c1c(cc(cc1)N(=O)=O)N(=O)=O)OC(C)CC(=O)OCC
SPLASH splash10-00kb-9600000000-cde29a16fe8e381c519e
Wiley ID 1484109