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5-nitro-2-(3,4,5-trichlorophenyl)isoindoline-1,3-dione
SpectraBase Compound ID AdxQAn1yyQN
InChI InChI=1S/C14H5Cl3N2O4/c15-10-4-7(5-11(16)12(10)17)18-13(20)8-2-1-6(19(22)23)3-9(8)14(18)21/h1-5H
InChIKey CKUHUIXBEJDSQR-UHFFFAOYSA-N
Mol Weight 371.56 g/mol
Molecular Formula C14H5Cl3N2O4
Exact Mass 369.93149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13QMrwyJj5F
Name 5-nitro-2-(3,4,5-trichlorophenyl)isoindoline-1,3-dione
Alternate Name(s) 5-nitro-2-(3,4,5-trichlorophenyl)isoindole-1,3-dione 5-nitro-2-[3,4,5-tris(chloranyl)phenyl]isoindole-1,3-dione
Comments Less than 3 mono-isotopic peaks
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Formula C14H5Cl3N2O4
InChI InChI=1S/C14H5Cl3N2O4/c15-10-4-7(5-11(16)12(10)17)18-13(20)8-2-1-6(19(22)23)3-9(8)14(18)21/h1-5H
InChIKey CKUHUIXBEJDSQR-UHFFFAOYSA-N
Molecular Weight 371.563 g/mol
SMILES C1(N(C(c2ccc(cc12)N(=O)=O)=O)c1cc(Cl)c(c(c1)Cl)Cl)=O
SPLASH splash10-00di-0009000000-a4f3e23b45330e949bda
Source of Spectrum F2-45-1653-5c
Wiley ID 1703421