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N-(4-Bromobenzyl)-1-[2-(4-fluorophenyl)ethyl]-N-phenylpiperidin-4-amine
SpectraBase Compound ID I9cpg75CRKN
InChI InChI=1S/C26H28BrFN2/c27-23-10-6-22(7-11-23)20-30(25-4-2-1-3-5-25)26-15-18-29(19-16-26)17-14-21-8-12-24(28)13-9-21/h1-13,26H,14-20H2
InChIKey KRPALRFJOAKXJO-UHFFFAOYSA-N
Mol Weight 467.43 g/mol
Molecular Formula C26H28BrFN2
Exact Mass 466.14199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FbFXpFqBFn8
Name N-(4-Bromobenzyl)-1-[2-(4-fluorophenyl)ethyl]-N-phenylpiperidin-4-amine
Comments Computed using HOSE algorithm
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Exact Mass 466.141990073 u
Formula C26H28BrFN2
InChI InChI=1S/C26H28BrFN2/c27-23-10-6-22(7-11-23)20-30(25-4-2-1-3-5-25)26-15-18-29(19-16-26)17-14-21-8-12-24(28)13-9-21/h1-13,26H,14-20H2
InChIKey KRPALRFJOAKXJO-UHFFFAOYSA-N
Molecular Weight 467.426 g/mol
SMILES C1(N(C2=CC=CC=C2)CC2=CC=C(C=C2)Br)CCN(CC1)CCC=1C=CC(=CC1)F