![N-[4'-(2"-Phenylethynyl)benzyl]-acetamide](/api/spectrum/DN1xhw8UXmZ/structure.png?h=300&w=458 "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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DN1xhw8UXmZ |
|---|---|
| Name | N-[4'-(2""-Phenylethynyl)benzyl]-acetamide |
| Comments | Computed using HOSE algorithm |
| 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 |