![3-[2-(3-Carbethoxyphenyl)ethynyl]benzoic acid ethyl ester](/api/spectrum/AuBnL5PAtty/structure.png?h=300&w=458 "3-[2-(3-Carbethoxyphenyl)ethynyl]benzoic acid ethyl ester")
| SpectraBase Compound ID | DIklNbEUKCI |
|---|---|
| InChI | InChI=1S/C20H18O4/c1-3-23-19(21)17-9-5-7-15(13-17)11-12-16-8-6-10-18(14-16)20(22)24-4-2/h5-10,13-14H,3-4H2,1-2H3 |
| InChIKey | GSXMUTSXSRPFCK-UHFFFAOYSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C20H18O4 |
| Exact Mass | 322.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AuBnL5PAtty |
|---|---|
| Name | 3-[2-(3-Carbethoxyphenyl)ethynyl]benzoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.120509056 u |
| Formula | C20H18O4 |
| InChI | InChI=1S/C20H18O4/c1-3-23-19(21)17-9-5-7-15(13-17)11-12-16-8-6-10-18(14-16)20(22)24-4-2/h5-10,13-14H,3-4H2,1-2H3 |
| InChIKey | GSXMUTSXSRPFCK-UHFFFAOYSA-N |
| Molecular Weight | 322.360 g/mol |
| SMILES | C(#CC=1C=C(C(=O)OCC)C=CC1)C=1C=C(C(=O)OCC)C=CC1 |