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1 -[2 -Acetoxy-3 -[4 -(2 -chlorophenyl)piperazin-1 -yl]propy]pyrrolidin-2 -one hydrochloride
SpectraBase Compound ID 2i7PO9Z7RCj
InChI InChI=1S/C19H26ClN3O3/c1-15(24)26-16(14-23-8-4-7-19(23)25)13-21-9-11-22(12-10-21)18-6-3-2-5-17(18)20/h2-3,5-6,16H,4,7-14H2,1H3
InChIKey HZSXOIYCXGOSRC-UHFFFAOYSA-N
Mol Weight 379.89 g/mol
Molecular Formula C19H26ClN3O3
Exact Mass 379.166269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3VerHKzRPpF
Name 1 -[2 -Acetoxy-3 -[4 -(2 -chlorophenyl)piperazin-1 -yl]propy]pyrrolidin-2 -one hydrochloride
Comments Computed using HOSE algorithm
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Exact Mass 379.166269406 u
Formula C19H26ClN3O3
InChI InChI=1S/C19H26ClN3O3/c1-15(24)26-16(14-23-8-4-7-19(23)25)13-21-9-11-22(12-10-21)18-6-3-2-5-17(18)20/h2-3,5-6,16H,4,7-14H2,1H3
InChIKey HZSXOIYCXGOSRC-UHFFFAOYSA-N
Molecular Weight 379.888 g/mol
SMILES C1(N(CCC1)CC(OC(=O)C)CN1CCN(CC1)C=1C(Cl)=CC=CC1)=O