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Diethyl (4-chlorophenyl)(phthalimidomethyl)propanedioate
SpectraBase Compound ID 7OSb8VnjE5w
InChI InChI=1S/C22H20ClNO6/c1-3-29-20(27)22(21(28)30-4-2,14-9-11-15(23)12-10-14)13-24-18(25)16-7-5-6-8-17(16)19(24)26/h5-12H,3-4,13H2,1-2H3
InChIKey CTQXQAJKKUQXGC-UHFFFAOYSA-N
Mol Weight 429.86 g/mol
Molecular Formula C22H20ClNO6
Exact Mass 429.097915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRB1gxTEv1
Name Diethyl (4-chlorophenyl)(phthalimidomethyl)propanedioate
Alternate Name(s) Diethyl (4'-chlorophenyl)-(phthalimidomethyl)propanedioate Diethyl 2-(4-chlorophenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]malonate
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Formula C22H20ClNO6
InChI InChI=1S/C22H20ClNO6/c1-3-29-20(27)22(21(28)30-4-2,14-9-11-15(23)12-10-14)13-24-18(25)16-7-5-6-8-17(16)19(24)26/h5-12H,3-4,13H2,1-2H3
InChIKey CTQXQAJKKUQXGC-UHFFFAOYSA-N
Molecular Weight 429.856 g/mol
SMILES C1(N(C(c2ccccc12)=O)CC(C(=O)OCC)(C(=O)OCC)c1ccc(cc1)Cl)=O
SPLASH splash10-03di-0920000000-1e95bbfeb0558d7f18c5
Source of Spectrum JA-50-813-0
Wiley ID 1381140