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3-(1,3-dioxo-2-isoindolyl)octanoic acid propan-2-yl ester
SpectraBase Compound ID ICcqDvFPt84
InChI InChI=1S/C19H25NO4/c1-4-5-6-9-14(12-17(21)24-13(2)3)20-18(22)15-10-7-8-11-16(15)19(20)23/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3
InChIKey RYRIUHXSFZZQOM-UHFFFAOYSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DP3EvP6NTGp
Name 3-(1,3-dioxo-2-isoindolyl)octanoic acid propan-2-yl ester
Alternate Name(s) 3-Phthalimidocaprylic acid isopropyl ester isopropyl 3-(1,3-dioxoisoindolin-2-yl)octanoate Propan-2-yl 3-(1,3-dioxoisoindol-2-yl)octanoate Propan-2-yl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]octanoate
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Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-4-5-6-9-14(12-17(21)24-13(2)3)20-18(22)15-10-7-8-11-16(15)19(20)23/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3
InChIKey RYRIUHXSFZZQOM-UHFFFAOYSA-N
Molecular Weight 331.412 g/mol
SMILES C(CC(CCCCC)N1C(c2c(C1=O)cccc2)=O)(=O)OC(C)C
SPLASH splash10-0230-0941000000-a0b8153e9213f1b6bad1
Source of Spectrum K1-2004-3457-11
Wiley ID 1561287