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2-(4,5,6,7-Tetrachloro-1,3-diketo-isoindolin-2-yl)acetic acid decyl ester
SpectraBase Compound ID Evtm6fBtzkn
InChI InChI=1S/C20H23Cl4NO4/c1-2-3-4-5-6-7-8-9-10-29-12(26)11-25-19(27)13-14(20(25)28)16(22)18(24)17(23)15(13)21/h2-11H2,1H3
InChIKey LBCGNZAMLNZEKU-UHFFFAOYSA-N
Mol Weight 483.2 g/mol
Molecular Formula C20H23Cl4NO4
Exact Mass 481.038119 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7bK1Ofyuph9
Name 2-(4,5,6,7-Tetrachloro-1,3-diketo-isoindolin-2-yl)acetic acid decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 481.038119021 u
Formula C20H23Cl4NO4
InChI InChI=1S/C20H23Cl4NO4/c1-2-3-4-5-6-7-8-9-10-29-12(26)11-25-19(27)13-14(20(25)28)16(22)18(24)17(23)15(13)21/h2-11H2,1H3
InChIKey LBCGNZAMLNZEKU-UHFFFAOYSA-N
Molecular Weight 483.219 g/mol
SMILES C12=C(C(=C(C(=C2C(N(C1=O)CC(OCCCCCCCCCC)=O)=O)Cl)Cl)Cl)Cl