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N-(4-Chlorophenyl)-N-(1-[(2-thiophen-2-yl)ethyl]piperidin-4-yl)-2-methoxybenzamide
SpectraBase Compound ID GpivK7b0DDe
InChI InChI=1S/C25H27ClN2O2S/c1-30-24-7-3-2-6-23(24)25(29)28(20-10-8-19(26)9-11-20)21-12-15-27(16-13-21)17-14-22-5-4-18-31-22/h2-11,18,21H,12-17H2,1H3
InChIKey VEIPGDSLPPMELX-UHFFFAOYSA-N
Mol Weight 455.02 g/mol
Molecular Formula C25H27ClN2O2S
Exact Mass 454.148177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dtOsGCKdSU
Name N-(4-Chlorophenyl)-N-{1-[(2-thiophen-2-yl)ethyl]piperidin-4-yl}-2-methoxybenzamide
Comments Computed using HOSE algorithm
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Exact Mass 454.148176989 u
Formula C25H27ClN2O2S
InChI InChI=1S/C25H27ClN2O2S/c1-30-24-7-3-2-6-23(24)25(29)28(20-10-8-19(26)9-11-20)21-12-15-27(16-13-21)17-14-22-5-4-18-31-22/h2-11,18,21H,12-17H2,1H3
InChIKey VEIPGDSLPPMELX-UHFFFAOYSA-N
Molecular Weight 455.016 g/mol
SMILES C(N(C1CCN(CC1)CCC=1SC=CC1)C1=CC=C(C=C1)Cl)(C=1C(=CC=CC1)OC)=O