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1-(3,5-Dichlorophenyl)-3-[4-(4-methoxyphenyl)-1-piperazinyl]pyrrolidine-2,5-dione
SpectraBase Compound ID 7l9Jp58mOs6
InChI InChI=1S/C21H21Cl2N3O3/c1-29-18-4-2-16(3-5-18)24-6-8-25(9-7-24)19-13-20(27)26(21(19)28)17-11-14(22)10-15(23)12-17/h2-5,10-12,19H,6-9,13H2,1H3
InChIKey HAWKRZWJKPNCEA-UHFFFAOYSA-N
Mol Weight 434.32 g/mol
Molecular Formula C21H21Cl2N3O3
Exact Mass 433.095997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Kldd9TM5Dh
Name 1-(3,5-Dichlorophenyl)-3-[4-(4-methoxyphenyl)-1-piperazinyl]pyrrolidine-2,5-dione
Comments Computed using HOSE algorithm
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Exact Mass 433.095996945 u
Formula C21H21Cl2N3O3
InChI InChI=1S/C21H21Cl2N3O3/c1-29-18-4-2-16(3-5-18)24-6-8-25(9-7-24)19-13-20(27)26(21(19)28)17-11-14(22)10-15(23)12-17/h2-5,10-12,19H,6-9,13H2,1H3
InChIKey HAWKRZWJKPNCEA-UHFFFAOYSA-N
Molecular Weight 434.323 g/mol
SMILES COC1=CC=C(N2CCN(C3C(N(C(C3)=O)C3=CC(Cl)=CC(=C3)Cl)=O)CC2)C=C1