![4-Benzo[b]thiophen-2-yl-benzoic acid ethyl ester](/api/spectrum/8G1DBXGb2AG/structure.png?h=300&w=458 "4-Benzo[b]thiophen-2-yl-benzoic acid ethyl ester")
| SpectraBase Compound ID | LXGfWLBsAuh |
|---|---|
| InChI | InChI=1S/C17H14O2S/c1-2-19-17(18)13-9-7-12(8-10-13)16-11-14-5-3-4-6-15(14)20-16/h3-11H,2H2,1H3 |
| InChIKey | KSWGEWBMEQPVII-UHFFFAOYSA-N |
| Mol Weight | 282.36 g/mol |
| Molecular Formula | C17H14O2S |
| Exact Mass | 282.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8G1DBXGb2AG |
|---|---|
| Name | 4-Benzo[B]thiophen-2-yl-benzoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.071450863 u |
| Formula | C17H14O2S |
| InChI | InChI=1S/C17H14O2S/c1-2-19-17(18)13-9-7-12(8-10-13)16-11-14-5-3-4-6-15(14)20-16/h3-11H,2H2,1H3 |
| InChIKey | KSWGEWBMEQPVII-UHFFFAOYSA-N |
| SMILES | C=1C=C2C(=CC1)SC(C1=CC=C(C=C1)C(OCC)=O)=C2 |