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(1-{3-[(2-Fluorophenyl)amino]propyl}piperidin-4-yl)diphenylmethanol
SpectraBase Compound ID 96h9QWULweg
InChI InChI=1S/C27H31FN2O/c28-25-14-7-8-15-26(25)29-18-9-19-30-20-16-24(17-21-30)27(31,22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,24,29,31H,9,16-21H2
InChIKey WMJQNFGXIBBZRJ-UHFFFAOYSA-N
Mol Weight 418.56 g/mol
Molecular Formula C27H31FN2O
Exact Mass 418.242042 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qepOVbu3qf
Name (1-{3-[(2-Fluorophenyl)amino]propyl}piperidin-4-yl)diphenylmethanol
Comments Computed using HOSE algorithm
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Exact Mass 418.242041788 u
Formula C27H31FN2O
InChI InChI=1S/C27H31FN2O/c28-25-14-7-8-15-26(25)29-18-9-19-30-20-16-24(17-21-30)27(31,22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,24,29,31H,9,16-21H2
InChIKey WMJQNFGXIBBZRJ-UHFFFAOYSA-N
Molecular Weight 418.556 g/mol
SMILES C(O)(C1=CC=CC=C1)(C1=CC=CC=C1)C1CCN(CC1)CCCNC1=C(C=CC=C1)F