![5-Chlorobenzo[B]thiophene-3-acetic acid](/api/spectrum/EwgE2AZgXTj/structure.png?h=300&w=458 "5-Chlorobenzo[B]thiophene-3-acetic acid")
| SpectraBase Compound ID | Fhzam0hCEQ1 |
|---|---|
| InChI | InChI=1S/C10H7ClO2S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13) |
| InChIKey | QQKKTOPRRGBBCT-UHFFFAOYSA-N |
| Mol Weight | 226.68 g/mol |
| Molecular Formula | C10H7ClO2S |
| Exact Mass | 225.985528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EwgE2AZgXTj |
|---|---|
| Name | 5-Chlorobenzo[B]thiophene-3-acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.985528337 u |
| Formula | C10H7ClO2S |
| InChI | InChI=1S/C10H7ClO2S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13) |
| InChIKey | QQKKTOPRRGBBCT-UHFFFAOYSA-N |
| Molecular Weight | 226.677 g/mol |
| SMILES | C1=CC(=CC2=C1SC=C2CC(O)=O)Cl |