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N-3-Iodobenzyl-N-4-methylphenyl-1-(1-phenylpropyl)piperidin-4-amine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-3-Iodobenzyl-N-4-methylphenyl-1-(1-phenylpropyl)piperidin-4-amine
SpectraBase Compound ID 6UtJ1KPP8M0
InChI InChI=1S/C28H33IN2/c1-3-28(24-9-5-4-6-10-24)30-18-16-27(17-19-30)31(26-14-12-22(2)13-15-26)21-23-8-7-11-25(29)20-23/h4-15,20,27-28H,3,16-19,21H2,1-2H3
InChIKey GHGYVOTYLBBBBO-UHFFFAOYSA-N
Mol Weight 524.5 g/mol
Molecular Formula C28H33IN2
Exact Mass 524.168844 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1P5EYAK1SaL
Name N-3-Iodobenzyl-N-4-methylphenyl-1-(1-phenylpropyl)piperidin-4-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.168844071 u
Formula C28H33IN2
InChI InChI=1S/C28H33IN2/c1-3-28(24-9-5-4-6-10-24)30-18-16-27(17-19-30)31(26-14-12-22(2)13-15-26)21-23-8-7-11-25(29)20-23/h4-15,20,27-28H,3,16-19,21H2,1-2H3
InChIKey GHGYVOTYLBBBBO-UHFFFAOYSA-N
Molecular Weight 524.490 g/mol
SMILES C1(N(C=2C=CC(=CC2)C)CC2=CC(=CC=C2)I)CCN(C(C=2C=CC=CC2)CC)CC1