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Benzoic acid, 3-(2,4-dinitrophenylamino)-, butyl ester
SpectraBase Compound ID FU6MVRxY7J9
InChI InChI=1S/C17H17N3O6/c1-2-3-9-26-17(21)12-5-4-6-13(10-12)18-15-8-7-14(19(22)23)11-16(15)20(24)25/h4-8,10-11,18H,2-3,9H2,1H3
InChIKey QJUSXSFPMRMORP-UHFFFAOYSA-N
Mol Weight 359.34 g/mol
Molecular Formula C17H17N3O6
Exact Mass 359.111735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Oy2wz7tQZ4
Name Benzoic acid, 3-(2,4-dinitrophenylamino)-, butyl ester
Alternate Name(s) 3-(2,4-dinitroanilino)benzoic acid butyl ester Butyl 3-(2,4-dinitroanilino)benzoate Butyl 3-[(2,4-dinitrophenyl)amino]benzoate
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Formula C17H17N3O6
InChI InChI=1S/C17H17N3O6/c1-2-3-9-26-17(21)12-5-4-6-13(10-12)18-15-8-7-14(19(22)23)11-16(15)20(24)25/h4-8,10-11,18H,2-3,9H2,1H3
InChIKey QJUSXSFPMRMORP-UHFFFAOYSA-N
Molecular Weight 359.338 g/mol
SMILES N(c1c(N(=O)=O)cc(N(=O)=O)cc1)c1cc(C(=O)OCCCC)ccc1
SPLASH splash10-052f-9510000000-abedeb52439406dd1761
Wiley ID 1439937