| SpectraBase Compound ID | 5NFgriMe6lN |
|---|---|
| InChI | InChI=1S/C15H15NO2/c1-2-18-15(17)14-10-8-13(9-11-14)7-5-3-4-6-12-16/h8-11H,2-4,6H2,1H3 |
| InChIKey | XMHIPXHJELJFNS-UHFFFAOYSA-N |
| Mol Weight | 241.29 g/mol |
| Molecular Formula | C15H15NO2 |
| Exact Mass | 241.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQV8U9LzfOO |
|---|---|
| Name | Ethyl 4-(5-cyanopent-1-yn-1-yl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.110278725 u |
| Formula | C15H15NO2 |
| InChI | InChI=1S/C15H15NO2/c1-2-18-15(17)14-10-8-13(9-11-14)7-5-3-4-6-12-16/h8-11H,2-4,6H2,1H3 |
| InChIKey | XMHIPXHJELJFNS-UHFFFAOYSA-N |
| Molecular Weight | 241.290 g/mol |
| SMILES | C(C=1C=CC(=CC1)C#CCCCC#N)(=O)OCC |