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4-Ethyl 1,2-Dimethyl 6-(benzoylamino)-3-methylbenzene-1,2,4-tricarboxylate
SpectraBase Compound ID IZ8EJA8mb4F
InChI InChI=1S/C21H21NO7/c1-5-29-19(24)14-11-15(22-18(23)13-9-7-6-8-10-13)17(21(26)28-4)16(12(14)2)20(25)27-3/h6-11H,5H2,1-4H3,(H,22,23)
InChIKey VFDHCWKWGVOANN-UHFFFAOYSA-N
Mol Weight 399.4 g/mol
Molecular Formula C21H21NO7
Exact Mass 399.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGdb9BgVH4Q
Name 4-Ethyl 1,2-Dimethyl 6-(benzoylamino)-3-methylbenzene-1,2,4-tricarboxylate
Alternate Name(s) 4-ethyl 1,2-dimethyl 6-(benzoylamino)-3-methyl-1,2,4-benzenetricarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H21NO7
InChI InChI=1S/C21H21NO7/c1-5-29-19(24)14-11-15(22-18(23)13-9-7-6-8-10-13)17(21(26)28-4)16(12(14)2)20(25)27-3/h6-11H,5H2,1-4H3,(H,22,23)
InChIKey VFDHCWKWGVOANN-UHFFFAOYSA-N
Molecular Weight 399.399 g/mol
SMILES N(c1c(c(c(c(c1)C(=O)OCC)C)C(=O)OC)C(=O)OC)C(c1ccccc1)=O
SPLASH splash10-0a4i-0901000000-c9e36484fcab0552a9c9
Source of Spectrum Y2-71-675-4
Wiley ID 1587547