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1,3-Diketo-2-(4-phenoxyphenyl)isoindoline-5-carboxylic acid isoamyl ester
SpectraBase Compound ID 7NekWO1T8j7
InChI InChI=1S/C26H23NO5/c1-17(2)14-15-31-26(30)18-8-13-22-23(16-18)25(29)27(24(22)28)19-9-11-21(12-10-19)32-20-6-4-3-5-7-20/h3-13,16-17H,14-15H2,1-2H3
InChIKey XLCJRMRDERLTAS-UHFFFAOYSA-N
Mol Weight 429.47 g/mol
Molecular Formula C26H23NO5
Exact Mass 429.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Him6JKlQHF0
Name 1,3-Diketo-2-(4-phenoxyphenyl)isoindoline-5-carboxylic acid isoamyl ester
Alternate Name(s) 1,3-Dioxo-2-(4-phenoxyphenyl)-5-isoindolecarboxylic acid 3-methylbutyl ester 3-Methylbutyl 1,3-bis(oxidanylidene)-2-(4-phenoxyphenyl)isoindole-5-carboxylate 3-Methylbutyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carboxylate isopentyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindoline-5-carboxylate
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Formula C26H23NO5
InChI InChI=1S/C26H23NO5/c1-17(2)14-15-31-26(30)18-8-13-22-23(16-18)25(29)27(24(22)28)19-9-11-21(12-10-19)32-20-6-4-3-5-7-20/h3-13,16-17H,14-15H2,1-2H3
InChIKey XLCJRMRDERLTAS-UHFFFAOYSA-N
Molecular Weight 429.472 g/mol
SMILES CC(CCOC(=O)c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)Oc1ccccc1)=O)C
SPLASH splash10-0fb9-9600100000-fb34f0e7102469a9bdd1
Wiley ID 1438563