| SpectraBase Compound ID | CvMqvoad4B |
|---|---|
| InChI | InChI=1S/C16H12O3/c1-18-16(17)12-8-6-11(7-9-12)15-10-13-4-2-3-5-14(13)19-15/h2-10H,1H3 |
| InChIKey | SBUSKXRTTPIVJJ-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 | 5bcDCWF2RgP |
|---|---|
| Name | 4-(2-Benzofuranyl)benzoic acid methyl ester |
| 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)12-8-6-11(7-9-12)15-10-13-4-2-3-5-14(13)19-15/h2-10H,1H3 |
| InChIKey | SBUSKXRTTPIVJJ-UHFFFAOYSA-N |
| Molecular Weight | 252.269 g/mol |
| SMILES | C=1(OC2=CC=CC=C2C1)C1=CC=C(C(=O)OC)C=C1 |