![2-Phenylbenzo[b]thiophen-3-yl benzoate](/api/spectrum/2x9hYFdal1Z/structure.png?h=300&w=458 "2-Phenylbenzo[b]thiophen-3-yl benzoate")
| SpectraBase Compound ID | JwNJIAKiK31 |
|---|---|
| InChI | InChI=1S/C21H14O2S/c22-21(16-11-5-2-6-12-16)23-19-17-13-7-8-14-18(17)24-20(19)15-9-3-1-4-10-15/h1-14H |
| InChIKey | HQYFOHJIEWWLBK-UHFFFAOYSA-N |
| Mol Weight | 330.4 g/mol |
| Molecular Formula | C21H14O2S |
| Exact Mass | 330.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2x9hYFdal1Z |
|---|---|
| Name | 2-Phenylbenzo[B]thiophen-3-yl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.071450863 u |
| Formula | C21H14O2S |
| InChI | InChI=1S/C21H14O2S/c22-21(16-11-5-2-6-12-16)23-19-17-13-7-8-14-18(17)24-20(19)15-9-3-1-4-10-15/h1-14H |
| InChIKey | HQYFOHJIEWWLBK-UHFFFAOYSA-N |
| Molecular Weight | 330.401 g/mol |
| SMILES | C1=CC=C2SC(C3=CC=CC=C3)=C(C2=C1)OC(C1=CC=CC=C1)=O |