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Propanoic acid, 3-(1,3-dihydro-4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)-
SpectraBase Compound ID KhR3wt39u56
InChI InChI=1S/C11H5Cl4NO4/c12-6-4-5(7(13)9(15)8(6)14)11(20)16(10(4)19)2-1-3(17)18/h1-2H2,(H,17,18)
InChIKey KSJTXWUPXJUJQM-UHFFFAOYSA-N
Mol Weight 357.0 g/mol
Molecular Formula C11H5Cl4NO4
Exact Mass 354.897268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cd4Tkc6TGZV
Name Propanoic acid, 3-(1,3-dihydro-4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)-
Comments Computed using HOSE algorithm
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Exact Mass 354.897268441 u
Formula C11H5Cl4NO4
InChI InChI=1S/C11H5Cl4NO4/c12-6-4-5(7(13)9(15)8(6)14)11(20)16(10(4)19)2-1-3(17)18/h1-2H2,(H,17,18)
InChIKey KSJTXWUPXJUJQM-UHFFFAOYSA-N
Molecular Weight 356.976 g/mol
SMILES C12=C(C(=O)N(C2=O)CCC(=O)O)C(Cl)=C(C(=C1Cl)Cl)Cl