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Dimethyl 4-amino-3,5-dicyano-6-phenylphthalate
SpectraBase Compound ID Bg06j6DmeAi
InChI InChI=1S/C18H13N3O4/c1-24-17(22)14-12(9-20)16(21)11(8-19)13(15(14)18(23)25-2)10-6-4-3-5-7-10/h3-7H,21H2,1-2H3
InChIKey AQIQGWGURSVUJZ-UHFFFAOYSA-N
Mol Weight 335.32 g/mol
Molecular Formula C18H13N3O4
Exact Mass 335.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lpkm3ptkoPg
Name Dimethyl 4-amino-3,5-dicyano-6-phenylphthalate
Alternate Name(s) Dimethyl 5-amino-4,6-dicyano[1,1'-biphenyl]-2,3-dicarboxylate 4-Amino-3,5-dicyano-6-phenylbenzene-1,2-dicarboxylic acid dimethyl ester Dimethyl 4-amino-3,5-dicyano-6-phenylbenzene-1,2-dicarboxylate Dimethyl 4-amino-3,5-dicyano-6-phenyl-benzene-1,2-dicarboxylate Dimethyl 4-azanyl-3,5-dicyano-6-phenyl-benzene-1,2-dicarboxylate
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Formula C18H13N3O4
InChI InChI=1S/C18H13N3O4/c1-24-17(22)14-12(9-20)16(21)11(8-19)13(15(14)18(23)25-2)10-6-4-3-5-7-10/h3-7H,21H2,1-2H3
InChIKey AQIQGWGURSVUJZ-UHFFFAOYSA-N
Molecular Weight 335.319 g/mol
SMILES Nc1c(c(-c2ccccc2)c(c(c1C#N)C(=O)OC)C(=O)OC)C#N
SPLASH splash10-0pbi-9326000000-6583cce14933cd0e7044
Source of Spectrum D1-2007-2498-3
Wiley ID 1639547