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2-(3-Chloro-4-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylic acid, tms derivative

View entire compound with spectra: 1 NMR

2-(3-Chloro-4-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylic acid, tms derivative
SpectraBase Compound ID J9hpWXCnNcC
InChI InChI=1S/C19H18ClNO4Si/c1-11-5-7-13(10-16(11)20)21-17(22)14-8-6-12(9-15(14)18(21)23)19(24)25-26(2,3)4/h5-10H,1-4H3
InChIKey FLOSPSXNAFNVMS-UHFFFAOYSA-N
Mol Weight 387.89 g/mol
Molecular Formula C19H18ClNO4Si
Exact Mass 387.069362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xN2KtUNpp2
Name 2-(3-Chloro-4-methylphenyl)-1,3-dioxo-5-isoindolinecarboxylic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 387.069362295 u
Formula C19H18ClNO4Si
InChI InChI=1S/C19H18ClNO4Si/c1-11-5-7-13(10-16(11)20)21-17(22)14-8-6-12(9-15(14)18(21)23)19(24)25-26(2,3)4/h5-10H,1-4H3
InChIKey FLOSPSXNAFNVMS-UHFFFAOYSA-N
Molecular Weight 387.894 g/mol
SMILES C1(Cl)=C(C=CC(=C1)N1C(=O)C2=C(C1=O)C=CC(=C2)C(=O)O[Si](C)(C)C)C