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4-[4-[4-(p-Tolylmethyl)-1-piperidyl]but-1-ynyl]aniline

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

4-[4-[4-(p-Tolylmethyl)-1-piperidyl]but-1-ynyl]aniline
SpectraBase Compound ID 3hXOc57GFWi
InChI InChI=1S/C23H28N2/c1-19-5-7-21(8-6-19)18-22-13-16-25(17-14-22)15-3-2-4-20-9-11-23(24)12-10-20/h5-12,22H,3,13-18,24H2,1H3
InChIKey YPBXVUBCNUFOIU-UHFFFAOYSA-N
Mol Weight 332.49 g/mol
Molecular Formula C23H28N2
Exact Mass 332.225249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F48iaBb854o
Name 4-[4-[4-(p-Tolylmethyl)-1-piperidyl]but-1-ynyl]aniline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.225248910 u
Formula C23H28N2
InChI InChI=1S/C23H28N2/c1-19-5-7-21(8-6-19)18-22-13-16-25(17-14-22)15-3-2-4-20-9-11-23(24)12-10-20/h5-12,22H,3,13-18,24H2,1H3
InChIKey YPBXVUBCNUFOIU-UHFFFAOYSA-N
Molecular Weight 332.491 g/mol
SMILES C=1(N)C=CC(=CC1)C#CCCN1CCC(CC1)CC=1C=CC(=CC1)C