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2-[(2-methylanilino)methyl]-5-nitro-isoindoline-1,3-dione
SpectraBase Compound ID HzlfrE97jaO
InChI InChI=1S/C16H13N3O4/c1-10-4-2-3-5-14(10)17-9-18-15(20)12-7-6-11(19(22)23)8-13(12)16(18)21/h2-8,17H,9H2,1H3
InChIKey KWAYDEAQGMSSOY-UHFFFAOYSA-N
Mol Weight 311.3 g/mol
Molecular Formula C16H13N3O4
Exact Mass 311.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6AzOcDzsj4h
Name 2-[(2-methylanilino)methyl]-5-nitro-isoindoline-1,3-dione
Alternate Name(s) 2-[(2-methylanilino)methyl]-5-nitroisoindole-1,3-dione 2-[[(2-methylphenyl)amino]methyl]-5-nitro-isoindole-1,3-dione 5-Nitro-2-(o-toluidinomethyl)isoindoline-1,3-quinone
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Formula C16H13N3O4
InChI InChI=1S/C16H13N3O4/c1-10-4-2-3-5-14(10)17-9-18-15(20)12-7-6-11(19(22)23)8-13(12)16(18)21/h2-8,17H,9H2,1H3
InChIKey KWAYDEAQGMSSOY-UHFFFAOYSA-N
Molecular Weight 311.297 g/mol
SMILES N(CN1C(c2cc(N(=O)=O)ccc2C1=O)=O)c1c(C)cccc1
SPLASH splash10-016r-9500000000-8a99f4ca941edd88e093
Wiley ID 1451141