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3-(2,4-dinitroanilino)benzoic acid decyl ester
SpectraBase Compound ID EkdGi9x7Ce5
InChI InChI=1S/C23H29N3O6/c1-2-3-4-5-6-7-8-9-15-32-23(27)18-11-10-12-19(16-18)24-21-14-13-20(25(28)29)17-22(21)26(30)31/h10-14,16-17,24H,2-9,15H2,1H3
InChIKey AVOAULNYWBPMPB-UHFFFAOYSA-N
Mol Weight 443.5 g/mol
Molecular Formula C23H29N3O6
Exact Mass 443.205636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kGOCz88Ej6
Name 3-(2,4-dinitroanilino)benzoic acid decyl ester
Alternate Name(s) Decyl 3-(2,4-dinitroanilino)benzoate decyl 3-[(2,4-dinitrophenyl)amino]benzoate
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Formula C23H29N3O6
InChI InChI=1S/C23H29N3O6/c1-2-3-4-5-6-7-8-9-15-32-23(27)18-11-10-12-19(16-18)24-21-14-13-20(25(28)29)17-22(21)26(30)31/h10-14,16-17,24H,2-9,15H2,1H3
InChIKey AVOAULNYWBPMPB-UHFFFAOYSA-N
Molecular Weight 443.500 g/mol
SMILES N(c1c(N(=O)=O)cc(N(=O)=O)cc1)c1cc(C(=O)OCCCCCCCCCC)ccc1
SPLASH splash10-052f-9100000000-2430090bd10e84a8a2f9
Wiley ID 1450789