| SpectraBase Compound ID | DQt20CaCx1I |
|---|---|
| InChI | InChI=1S/C16H12O3/c1-18-16(17)14-12-9-5-6-10-13(12)19-15(14)11-7-3-2-4-8-11/h2-10H,1H3 |
| InChIKey | JXMGUJWOOUYJSO-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C16H12O3 |
| Exact Mass | 252.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GrwmGEZUxSR |
|---|---|
| Name | Methyl 2-phenylbenzofuran-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.078644243 u |
| Formula | C16H12O3 |
| InChI | InChI=1S/C16H12O3/c1-18-16(17)14-12-9-5-6-10-13(12)19-15(14)11-7-3-2-4-8-11/h2-10H,1H3 |
| InChIKey | JXMGUJWOOUYJSO-UHFFFAOYSA-N |
| Molecular Weight | 252.269 g/mol |
| SMILES | C=1(OC2=C(C1C(=O)OC)C=CC=C2)C1=CC=CC=C1 |