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3-[4-(Furan-2-carbonyl)-piperazin-1-yl]-1-(4-methoxy-phenyl)-pyrrolidine-2,5-dione
SpectraBase Compound ID FuovmfuXI8f
InChI InChI=1S/C20H21N3O5/c1-27-15-6-4-14(5-7-15)23-18(24)13-16(19(23)25)21-8-10-22(11-9-21)20(26)17-3-2-12-28-17/h2-7,12,16H,8-11,13H2,1H3
InChIKey JSQPCLAEDSYCFI-UHFFFAOYSA-N
Mol Weight 383.4 g/mol
Molecular Formula C20H21N3O5
Exact Mass 383.148121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IGhT6azj3UV
Name 3-[4-(Furan-2-carbonyl)-piperazin-1-yl]-1-(4-methoxy-phenyl)-pyrrolidine-2,5-dione
Comments Computed using HOSE algorithm
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Exact Mass 383.148120783 u
Formula C20H21N3O5
InChI InChI=1S/C20H21N3O5/c1-27-15-6-4-14(5-7-15)23-18(24)13-16(19(23)25)21-8-10-22(11-9-21)20(26)17-3-2-12-28-17/h2-7,12,16H,8-11,13H2,1H3
InChIKey JSQPCLAEDSYCFI-UHFFFAOYSA-N
Molecular Weight 383.404 g/mol
SMILES COC=1C=CC(N2C(C(N3CCN(C(C=4OC=CC4)=O)CC3)CC2=O)=O)=CC1