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N-(4-Fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl] 4'-methoxy-benzamide I
SpectraBase Compound ID 8ha4IUJGOcN
InChI InChI=1S/C27H29FN2O2/c1-32-26-13-7-22(8-14-26)27(31)30(24-11-9-23(28)10-12-24)25-16-19-29(20-17-25)18-15-21-5-3-2-4-6-21/h2-14,25H,15-20H2,1H3
InChIKey ZRPDEHQKHNTRQU-UHFFFAOYSA-N
Mol Weight 432.54 g/mol
Molecular Formula C27H29FN2O2
Exact Mass 432.221306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQVdgk92jUd
Name N-(4-Fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl] 4'-methoxy-benzamide I
Comments Computed using HOSE algorithm
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Exact Mass 432.221306343 u
Formula C27H29FN2O2
InChI InChI=1S/C27H29FN2O2/c1-32-26-13-7-22(8-14-26)27(31)30(24-11-9-23(28)10-12-24)25-16-19-29(20-17-25)18-15-21-5-3-2-4-6-21/h2-14,25H,15-20H2,1H3
InChIKey ZRPDEHQKHNTRQU-UHFFFAOYSA-N
Molecular Weight 432.539 g/mol
SMILES C(N(C1CCN(CC1)CCC=1C=CC=CC1)C=1C=CC(=CC1)F)(C=1C=CC(=CC1)OC)=O