![Butyl benzo[b]thiophene-3-carboxylate](/api/spectrum/7xZ63F6Xywv/structure.png?h=300&w=458 "Butyl benzo[b]thiophene-3-carboxylate")
| SpectraBase Compound ID | CQ1mQomk3F0 |
|---|---|
| InChI | InChI=1S/C13H14O2S/c1-2-3-8-15-13(14)11-9-16-12-7-5-4-6-10(11)12/h4-7,9H,2-3,8H2,1H3 |
| InChIKey | GDWOPAIMBFJGES-UHFFFAOYSA-N |
| Mol Weight | 234.31 g/mol |
| Molecular Formula | C13H14O2S |
| Exact Mass | 234.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7xZ63F6Xywv |
|---|---|
| Name | Butyl benzo[B]thiophene-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.071450863 u |
| Formula | C13H14O2S |
| InChI | InChI=1S/C13H14O2S/c1-2-3-8-15-13(14)11-9-16-12-7-5-4-6-10(11)12/h4-7,9H,2-3,8H2,1H3 |
| InChIKey | GDWOPAIMBFJGES-UHFFFAOYSA-N |
| Molecular Weight | 234.313 g/mol |
| SMILES | C=12C(C(=CS2)C(=O)OCCCC)=CC=CC1 |