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1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(4-phenyl-1-piperazinyl)-2,5-pyrrolidinedione
SpectraBase Compound ID 33YyefSXCgb
InChI InChI=1S/C22H23N3O4/c26-21-15-18(24-10-8-23(9-11-24)16-4-2-1-3-5-16)22(27)25(21)17-6-7-19-20(14-17)29-13-12-28-19/h1-7,14,18H,8-13,15H2
InChIKey REUAVQCOHSRIGS-UHFFFAOYSA-N
Mol Weight 393.44 g/mol
Molecular Formula C22H23N3O4
Exact Mass 393.168856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8Ox4PNVCYz
Name 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(4-phenyl-1-piperazinyl)-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
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Exact Mass 393.168856229 u
Formula C22H23N3O4
InChI InChI=1S/C22H23N3O4/c26-21-15-18(24-10-8-23(9-11-24)16-4-2-1-3-5-16)22(27)25(21)17-6-7-19-20(14-17)29-13-12-28-19/h1-7,14,18H,8-13,15H2
InChIKey REUAVQCOHSRIGS-UHFFFAOYSA-N
Molecular Weight 393.443 g/mol
SMILES C=1C=CC(N2CCN(C3C(N(C(C3)=O)C=3C=C4OCCOC4=CC3)=O)CC2)=CC1