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Ethyl 4-[1-(3-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazinecarboxylate

View entire compound with spectra: 2 NMR

Ethyl 4-[1-(3-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazinecarboxylate
SpectraBase Compound ID EcR6ozW5Kxz
InChI InChI=1S/C17H20BrN3O4/c1-2-25-17(24)20-8-6-19(7-9-20)14-11-15(22)21(16(14)23)13-5-3-4-12(18)10-13/h3-5,10,14H,2,6-9,11H2,1H3
InChIKey IANVDKHGYZMVTR-UHFFFAOYSA-N
Mol Weight 410.27 g/mol
Molecular Formula C17H20BrN3O4
Exact Mass 409.063719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WghwW7IbX
Name Ethyl 4-[1-(3-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 409.063719132 u
Formula C17H20BrN3O4
InChI InChI=1S/C17H20BrN3O4/c1-2-25-17(24)20-8-6-19(7-9-20)14-11-15(22)21(16(14)23)13-5-3-4-12(18)10-13/h3-5,10,14H,2,6-9,11H2,1H3
InChIKey IANVDKHGYZMVTR-UHFFFAOYSA-N
Molecular Weight 410.268 g/mol
SMILES CCOC(N1CCN(C2C(N(C(C2)=O)C2=CC(Br)=CC=C2)=O)CC1)=O