| SpectraBase Compound ID | 9OJSfJZ7WiT |
|---|---|
| InChI | InChI=1S/C9H8O2S/c10-9(11)6-2-1-4-8-5-3-7-12-8/h1-7H,(H,10,11)/b4-1+,6-2+ |
| InChIKey | GHUSLSRUFUMRAV-NKZTZDQQSA-N |
| Mol Weight | 180.22 g/mol |
| Molecular Formula | C9H8O2S |
| Exact Mass | 180.024501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQLQWRAgLJb |
|---|---|
| Name | (2E,4E)-5-(2-Thienyl)penta-2,4-dienoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.024500670 u |
| Formula | C9H8O2S |
| InChI | InChI=1S/C9H8O2S/c10-9(11)6-2-1-4-8-5-3-7-12-8/h1-7H,(H,10,11)/b4-1+,6-2+ |
| InChIKey | GHUSLSRUFUMRAV-NKZTZDQQSA-N |
| Molecular Weight | 180.221 g/mol |
| SMILES | C=1(SC=CC1)\C=C\C=C\C(=O)O |