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Isopropyl 2-(2,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate

View entire compound with spectra: 2 NMR

Isopropyl 2-(2,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate
SpectraBase Compound ID K6wVp59xB9I
InChI InChI=1S/C18H13Cl2NO4/c1-9(2)25-18(24)10-3-5-12-13(7-10)17(23)21(16(12)22)15-6-4-11(19)8-14(15)20/h3-9H,1-2H3
InChIKey KSTZNZRFAMVWCY-UHFFFAOYSA-N
Mol Weight 378.21 g/mol
Molecular Formula C18H13Cl2NO4
Exact Mass 377.022163 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6LsJs2vSPCD
Name Isopropyl 2-(2,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 377.022163299 u
Formula C18H13Cl2NO4
InChI InChI=1S/C18H13Cl2NO4/c1-9(2)25-18(24)10-3-5-12-13(7-10)17(23)21(16(12)22)15-6-4-11(19)8-14(15)20/h3-9H,1-2H3
InChIKey KSTZNZRFAMVWCY-UHFFFAOYSA-N
Molecular Weight 378.211 g/mol
SMILES C1(N(C(C=2C=CC(=CC12)C(OC(C)C)=O)=O)C1=CC=C(C=C1Cl)Cl)=O