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Benzoic acid, 4-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-methyl-1-oxopentyl]amino]-, methyl ester
SpectraBase Compound ID CN4rPlxrFqi
InChI InChI=1S/C22H22N2O5/c1-4-13(2)18(24-20(26)16-7-5-6-8-17(16)21(24)27)19(25)23-15-11-9-14(10-12-15)22(28)29-3/h5-13,18H,4H2,1-3H3,(H,23,25)
InChIKey JKMGSGBQTHLRBK-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C22H22N2O5
Exact Mass 394.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJ4H7OKGUmK
Name Benzoic acid, 4-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-methyl-1-oxopentyl]amino]-, methyl ester
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Formula C22H22N2O5
InChI InChI=1S/C22H22N2O5/c1-4-13(2)18(24-20(26)16-7-5-6-8-17(16)21(24)27)19(25)23-15-11-9-14(10-12-15)22(28)29-3/h5-13,18H,4H2,1-3H3,(H,23,25)
InChIKey JKMGSGBQTHLRBK-UHFFFAOYSA-N
Molecular Weight 394.427 g/mol
SMILES N(C(C(N1C(c2ccccc2C1=O)=O)C(CC)C)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-08iu-5910000000-dbd9b1a89fc81ff0f2ca
Source of Spectrum IY-1-4288-3
Synonyms 4-[[2-(1,3-dioxo-2-isoindolyl)-3-methyl-1-oxopentyl]amino]benzoic acid methyl ester Methyl 4-[[2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoyl]amino]benzoate Methyl 4-[[2-(1,3-dioxoisoindolin-2-yl)-3-methyl-pentanoyl]amino]benzoate Methyl 4-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-pentanoyl]amino]benzoate
Wiley ID 1650874