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4-(4,5-dimethoxy-2-nitro-benzyl)oxy-4-keto-butyric acid
SpectraBase Compound ID Iqo048amRkT
InChI InChI=1S/C13H15NO8/c1-20-10-5-8(7-22-13(17)4-3-12(15)16)9(14(18)19)6-11(10)21-2/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKey FJXUHGQIJQHBBG-UHFFFAOYSA-N
Mol Weight 313.26 g/mol
Molecular Formula C13H15NO8
Exact Mass 313.079766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLkIo0NN8MH
Name 4-(4,5-dimethoxy-2-nitro-benzyl)oxy-4-keto-butyric acid
Alternate Name(s) 4-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-4-oxidanylidene-butanoic acid 4-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-4-oxo-butanoic acid 4-[(4,5-dimethoxy-2-nitrobenzyl)oxy]-4-oxobutanoic acid
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Formula C13H15NO8
InChI InChI=1S/C13H15NO8/c1-20-10-5-8(7-22-13(17)4-3-12(15)16)9(14(18)19)6-11(10)21-2/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKey FJXUHGQIJQHBBG-UHFFFAOYSA-N
Molecular Weight 313.262 g/mol
SMILES OC(CCC(=O)OCc1c(cc(c(c1)OC)OC)N(=O)=O)=O
SPLASH splash10-000i-0900000000-5a24011096d2bd8d011e
Source of Spectrum J-67-5573-11
Wiley ID 1570462