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3-(1,3-dioxo-2-isoindolyl)octanoic acid ethyl ester
SpectraBase Compound ID 27oy7yS5Cx
InChI InChI=1S/C18H23NO4/c1-3-5-6-9-13(12-16(20)23-4-2)19-17(21)14-10-7-8-11-15(14)18(19)22/h7-8,10-11,13H,3-6,9,12H2,1-2H3
InChIKey AVBSHQVXOMUPDT-UHFFFAOYSA-N
Mol Weight 317.39 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xRRc83GCMl
Name 3-(1,3-dioxo-2-isoindolyl)octanoic acid ethyl ester
Alternate Name(s) 3-Phthalimidocaprylic acid ethyl ester Ethyl 3-(1,3-dioxoisoindol-2-yl)octanoate Ethyl 3-(1,3-dioxoisoindolin-2-yl)octanoate Ethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]octanoate
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Formula C18H23NO4
InChI InChI=1S/C18H23NO4/c1-3-5-6-9-13(12-16(20)23-4-2)19-17(21)14-10-7-8-11-15(14)18(19)22/h7-8,10-11,13H,3-6,9,12H2,1-2H3
InChIKey AVBSHQVXOMUPDT-UHFFFAOYSA-N
Molecular Weight 317.385 g/mol
SMILES C(CC(CCCCC)N1C(c2c(C1=O)cccc2)=O)(=O)OCC
SPLASH splash10-01x4-4951000000-cf4879347df22ffd4247
Source of Spectrum K1-2004-3457-11
Wiley ID 1561288