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2-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 1xR4PJjtx6o
InChI InChI=1S/C20H18FN3O3/c21-14-5-7-15(8-6-14)22-9-11-23(12-10-22)18(25)13-24-19(26)16-3-1-2-4-17(16)20(24)27/h1-8H,9-13H2
InChIKey KLJNTXKCRDMKQA-UHFFFAOYSA-N
Mol Weight 367.38 g/mol
Molecular Formula C20H18FN3O3
Exact Mass 367.13322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jb2EXOMa5jD
Name 2-{2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl}-1H-isoindole-1,3(2H)-dione
Comments Computed using HOSE algorithm
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Exact Mass 367.133219612 u
Formula C20H18FN3O3
InChI InChI=1S/C20H18FN3O3/c21-14-5-7-15(8-6-14)22-9-11-23(12-10-22)18(25)13-24-19(26)16-3-1-2-4-17(16)20(24)27/h1-8H,9-13H2
InChIKey KLJNTXKCRDMKQA-UHFFFAOYSA-N
Molecular Weight 367.380 g/mol
SMILES C=1C=C2C(N(C(C2=CC1)=O)CC(N1CCN(CC1)C1=CC=C(C=C1)F)=O)=O