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4-[5-(4-Chlorophenyl)-4-methyl-3-isoxazolyl]-1-(2-phenylethyl)piperidine
SpectraBase Compound ID 8y05odCZYmo
InChI InChI=1S/C23H25ClN2O/c1-17-22(25-27-23(17)20-7-9-21(24)10-8-20)19-12-15-26(16-13-19)14-11-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3
InChIKey QDMAKDIDFJTXEL-UHFFFAOYSA-N
Mol Weight 380.92 g/mol
Molecular Formula C23H25ClN2O
Exact Mass 380.165541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wJGK2MjSvQ
Name 4-[5-(4-Chlorophenyl)-4-methyl-3-isoxazolyl]-1-(2-phenylethyl)piperidine
Comments Computed using HOSE algorithm
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Exact Mass 380.165541132 u
Formula C23H25ClN2O
InChI InChI=1S/C23H25ClN2O/c1-17-22(25-27-23(17)20-7-9-21(24)10-8-20)19-12-15-26(16-13-19)14-11-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3
InChIKey QDMAKDIDFJTXEL-UHFFFAOYSA-N
Molecular Weight 380.919 g/mol
SMILES C1N(CCC(C1)C1=NOC(C2=CC=C(C=C2)Cl)=C1C)CCC1=CC=CC=C1