| SpectraBase Compound ID | AHRsBur1mEi |
|---|---|
| InChI | InChI=1S/C19H15NO4/c1-3-23-19(21)18-17(13-6-4-12(11-20)5-7-13)15-10-14(22-2)8-9-16(15)24-18/h4-10H,3H2,1-2H3 |
| InChIKey | HZGHEXCJHGBKPK-UHFFFAOYSA-N |
| Mol Weight | 321.33 g/mol |
| Molecular Formula | C19H15NO4 |
| Exact Mass | 321.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6GKeQ3A5Qjw |
|---|---|
| Name | Ethyl 3-(4-cyanophenyl)-5-methoxybenzofuran-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.100107963 u |
| Formula | C19H15NO4 |
| InChI | InChI=1S/C19H15NO4/c1-3-23-19(21)18-17(13-6-4-12(11-20)5-7-13)15-10-14(22-2)8-9-16(15)24-18/h4-10H,3H2,1-2H3 |
| InChIKey | HZGHEXCJHGBKPK-UHFFFAOYSA-N |
| Molecular Weight | 321.332 g/mol |
| SMILES | C1(=CC=C2OC(C(=O)OCC)=C(C3=CC=C(C=C3)C#N)C2=C1)OC |