![2-[2-(2-Carbomethoxyphenyl)ethynyl]benzoic acid methyl ester](/api/spectrum/3nM7b5R3du/structure.png?h=300&w=458 "2-[2-(2-Carbomethoxyphenyl)ethynyl]benzoic acid methyl ester")
| SpectraBase Compound ID | EwjBwrBs6rt |
|---|---|
| InChI | InChI=1S/C18H14O4/c1-21-17(19)15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)18(20)22-2/h3-10H,1-2H3 |
| InChIKey | WOWOJPPNAHPPNE-UHFFFAOYSA-N |
| Mol Weight | 294.31 g/mol |
| Molecular Formula | C18H14O4 |
| Exact Mass | 294.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3nM7b5R3du |
|---|---|
| Name | 2-[2-(2-Carbomethoxyphenyl)ethynyl]benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.089208927 u |
| Formula | C18H14O4 |
| InChI | InChI=1S/C18H14O4/c1-21-17(19)15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)18(20)22-2/h3-10H,1-2H3 |
| InChIKey | WOWOJPPNAHPPNE-UHFFFAOYSA-N |
| Molecular Weight | 294.306 g/mol |
| SMILES | C(#CC=1C(C(=O)OC)=CC=CC1)C=1C(C(=O)OC)=CC=CC1 |