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N-[4'-(2"-Phenylethynyl)benzyl]-acetamide

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

N-[4'-(2"-Phenylethynyl)benzyl]-acetamide
SpectraBase Compound ID LNjml5fF0lj
InChI InChI=1S/C17H15NO/c1-14(19)18-13-17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h2-6,9-12H,13H2,1H3,(H,18,19)
InChIKey PIEKVAHDAOPWIF-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C17H15NO
Exact Mass 249.115364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GiNmVcNBFXw
Name N-[4'-(2""""-Phenylethynyl)benzyl]-acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.115364106 u
Formula C17H15NO
InChI InChI=1S/C17H15NO/c1-14(19)18-13-17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h2-6,9-12H,13H2,1H3,(H,18,19)
InChIKey PIEKVAHDAOPWIF-UHFFFAOYSA-N
Molecular Weight 249.313 g/mol
SMILES C(#CC=1C=CC=CC1)C1=CC=C(CNC(=O)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.806215