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[3-(4-Acetylphenyl)prop-2-ynyl]dibenzylamine

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

[3-(4-Acetylphenyl)prop-2-ynyl]dibenzylamine
SpectraBase Compound ID Dd1bnWJ7bf0
InChI InChI=1S/C25H23NO/c1-21(27)25-16-14-22(15-17-25)13-8-18-26(19-23-9-4-2-5-10-23)20-24-11-6-3-7-12-24/h2-7,9-12,14-17H,18-20H2,1H3
InChIKey SHZFNTJCDUOLLL-UHFFFAOYSA-N
Mol Weight 353.47 g/mol
Molecular Formula C25H23NO
Exact Mass 353.177964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRtK3tvgJgw
Name [3-(4-Acetylphenyl)prop-2-ynyl]dibenzylamine
Comments Computed using HOSE algorithm
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Exact Mass 353.177964364 u
Formula C25H23NO
InChI InChI=1S/C25H23NO/c1-21(27)25-16-14-22(15-17-25)13-8-18-26(19-23-9-4-2-5-10-23)20-24-11-6-3-7-12-24/h2-7,9-12,14-17H,18-20H2,1H3
InChIKey SHZFNTJCDUOLLL-UHFFFAOYSA-N
Molecular Weight 353.465 g/mol
SMILES C(N(CC=1C=CC=CC1)CC#CC=1C=CC(=CC1)C(=O)C)C=1C=CC=CC1