| SpectraBase Compound ID | 8hYIYhjAmfo |
|---|---|
| InChI | InChI=1S/C17H14O2/c1-13-6-8-14(9-7-13)10-11-15-4-3-5-16(12-15)17(18)19-2/h3-9,12H,1-2H3 |
| InChIKey | NHGNMJORHSFYIT-UHFFFAOYSA-N |
| Mol Weight | 250.3 g/mol |
| Molecular Formula | C17H14O2 |
| Exact Mass | 250.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IdqqcPZFINa |
|---|---|
| Name | Methyl 3-(p-tolylethynyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.099379689 u |
| Formula | C17H14O2 |
| InChI | InChI=1S/C17H14O2/c1-13-6-8-14(9-7-13)10-11-15-4-3-5-16(12-15)17(18)19-2/h3-9,12H,1-2H3 |
| InChIKey | NHGNMJORHSFYIT-UHFFFAOYSA-N |
| Molecular Weight | 250.297 g/mol |
| SMILES | C(C=1C=C(C=CC1)C#CC=1C=CC(=CC1)C)(=O)OC |