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N,N-Dibenzyl-4-ethyl-1-phenyl-1-hexyn-3-amine

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

N,N-Dibenzyl-4-ethyl-1-phenyl-1-hexyn-3-amine
SpectraBase Compound ID 5FyF0K1hcNy
InChI InChI=1S/C28H31N/c1-3-27(4-2)28(21-20-24-14-8-5-9-15-24)29(22-25-16-10-6-11-17-25)23-26-18-12-7-13-19-26/h5-19,27-28H,3-4,22-23H2,1-2H3
InChIKey PBQJJAIHOQBFKK-UHFFFAOYSA-N
Mol Weight 381.56 g/mol
Molecular Formula C28H31N
Exact Mass 381.24565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6RgyInAkX8S
Name N,N-Dibenzyl-4-ethyl-1-phenyl-1-hexyn-3-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.245650002 u
Formula C28H31N
InChI InChI=1S/C28H31N/c1-3-27(4-2)28(21-20-24-14-8-5-9-15-24)29(22-25-16-10-6-11-17-25)23-26-18-12-7-13-19-26/h5-19,27-28H,3-4,22-23H2,1-2H3
InChIKey PBQJJAIHOQBFKK-UHFFFAOYSA-N
Molecular Weight 381.563 g/mol
SMILES C(#CC(C(CC)CC)N(CC=1C=CC=CC1)CC=1C=CC=CC1)C=1C=CC=CC1