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Ethyl 4-{3-[4-(4-methoxyphenyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl}benzoate
SpectraBase Compound ID 4JQdnBPnV3k
InChI InChI=1S/C24H27N3O5/c1-3-32-24(30)17-4-6-19(7-5-17)27-22(28)16-21(23(27)29)26-14-12-25(13-15-26)18-8-10-20(31-2)11-9-18/h4-11,21H,3,12-16H2,1-2H3
InChIKey LTWRYPVZOXYTGW-UHFFFAOYSA-N
Mol Weight 437.5 g/mol
Molecular Formula C24H27N3O5
Exact Mass 437.195071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JucWvL7bw3V
Name Ethyl 4-{3-[4-(4-methoxyphenyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl}benzoate
Comments Computed using HOSE algorithm
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Exact Mass 437.195070976 u
Formula C24H27N3O5
InChI InChI=1S/C24H27N3O5/c1-3-32-24(30)17-4-6-19(7-5-17)27-22(28)16-21(23(27)29)26-14-12-25(13-15-26)18-8-10-20(31-2)11-9-18/h4-11,21H,3,12-16H2,1-2H3
InChIKey LTWRYPVZOXYTGW-UHFFFAOYSA-N
Molecular Weight 437.496 g/mol
SMILES CCOC(C1=CC=C(N2C(C(N3CCN(CC3)C3=CC=C(C=C3)OC)CC2=O)=O)C=C1)=O