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1-(3-Chlorophenyl)-4-[(2-phenylcyclopropyl)carbonyl]piperazine
SpectraBase Compound ID EefcgK4lOfX
InChI InChI=1S/C20H21ClN2O/c21-16-7-4-8-17(13-16)22-9-11-23(12-10-22)20(24)19-14-18(19)15-5-2-1-3-6-15/h1-8,13,18-19H,9-12,14H2
InChIKey WMFOPLJIWZTKHV-UHFFFAOYSA-N
Mol Weight 340.85 g/mol
Molecular Formula C20H21ClN2O
Exact Mass 340.134241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BA4lcvB4CvY
Name 1-(3-Chlorophenyl)-4-[(2-phenylcyclopropyl)carbonyl]piperazine
Comments Computed using HOSE algorithm
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Exact Mass 340.134241003 u
Formula C20H21ClN2O
InChI InChI=1S/C20H21ClN2O/c21-16-7-4-8-17(13-16)22-9-11-23(12-10-22)20(24)19-14-18(19)15-5-2-1-3-6-15/h1-8,13,18-19H,9-12,14H2
InChIKey WMFOPLJIWZTKHV-UHFFFAOYSA-N
Molecular Weight 340.854 g/mol
SMILES C1(C(C2=CC=CC=C2)C1)C(N1CCN(C2=CC(Cl)=CC=C2)CC1)=O