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Ethyl 2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindole-2-yl)butanoyl]amio}propanoate
SpectraBase Compound ID 3oMoegDi5W
InChI InChI=1S/C17H20N2O5/c1-2-24-15(21)9-10-18-14(20)8-5-11-19-16(22)12-6-3-4-7-13(12)17(19)23/h3-4,6-7H,2,5,8-11H2,1H3,(H,18,20)
InChIKey YWUYXLAWKGTUEP-UHFFFAOYSA-N
Mol Weight 332.36 g/mol
Molecular Formula C17H20N2O5
Exact Mass 332.137222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ZG2tJacPXP
Name Ethyl 2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindole-2-yl)butanoyl]amio}propanoate
Comments Computed using HOSE algorithm
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Exact Mass 332.137221747 u
Formula C17H20N2O5
InChI InChI=1S/C17H20N2O5/c1-2-24-15(21)9-10-18-14(20)8-5-11-19-16(22)12-6-3-4-7-13(12)17(19)23/h3-4,6-7H,2,5,8-11H2,1H3,(H,18,20)
InChIKey YWUYXLAWKGTUEP-UHFFFAOYSA-N
Molecular Weight 332.356 g/mol
SMILES C1(N(C(C=2C=CC=CC12)=O)CCCC(=O)NCCC(=O)OCC)=O