| SpectraBase Compound ID | JM2IKNIJtyI |
|---|---|
| InChI | InChI=1S/C17H13NO2/c1-13(19)15-9-5-6-10-16(15)18-17(20)12-11-14-7-3-2-4-8-14/h2-10H,1H3,(H,18,20) |
| InChIKey | UKULJSWKMXXPFY-UHFFFAOYSA-N |
| Mol Weight | 263.3 g/mol |
| Molecular Formula | C17H13NO2 |
| Exact Mass | 263.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUVc2OvvnbA |
|---|---|
| Name | N-(2'-Acetylphenyl)-2-phenylacetylenecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.094628661 u |
| Formula | C17H13NO2 |
| InChI | InChI=1S/C17H13NO2/c1-13(19)15-9-5-6-10-16(15)18-17(20)12-11-14-7-3-2-4-8-14/h2-10H,1H3,(H,18,20) |
| InChIKey | UKULJSWKMXXPFY-UHFFFAOYSA-N |
| Molecular Weight | 263.296 g/mol |
| SMILES | C1=CC=C(C(=C1)NC(=O)C#CC1=CC=CC=C1)C(=O)C |