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Ethyl 4-[3-(4-methyl-1-piperazinyl)-2,5-dioxo-1-pyrrolidinyl]benzoate
SpectraBase Compound ID BeWUaCE3uRl
InChI InChI=1S/C18H23N3O4/c1-3-25-18(24)13-4-6-14(7-5-13)21-16(22)12-15(17(21)23)20-10-8-19(2)9-11-20/h4-7,15H,3,8-12H2,1-2H3
InChIKey QSPBBQSQBGJMOJ-UHFFFAOYSA-N
Mol Weight 345.4 g/mol
Molecular Formula C18H23N3O4
Exact Mass 345.168856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1k9b93LfUG
Name Ethyl 4-[3-(4-methyl-1-piperazinyl)-2,5-dioxo-1-pyrrolidinyl]benzoate
Comments Computed using HOSE algorithm
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Exact Mass 345.168856229 u
Formula C18H23N3O4
InChI InChI=1S/C18H23N3O4/c1-3-25-18(24)13-4-6-14(7-5-13)21-16(22)12-15(17(21)23)20-10-8-19(2)9-11-20/h4-7,15H,3,8-12H2,1-2H3
InChIKey QSPBBQSQBGJMOJ-UHFFFAOYSA-N
Molecular Weight 345.399 g/mol
SMILES CCOC(C=1C=CC(N2C(C(N3CCN(CC3)C)CC2=O)=O)=CC1)=O