| SpectraBase Compound ID | 6vGrM6wORYv |
|---|---|
| InChI | InChI=1S/C8H8O2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3,(H,9,10)/b6-5+ |
| InChIKey | MOHSXXGDTJEXNH-AATRIKPKSA-N |
| Mol Weight | 168.21 g/mol |
| Molecular Formula | C8H8O2S |
| Exact Mass | 168.024501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K5hrsOtC0bQ |
|---|---|
| Name | 2-Methyl-3-(2-thienyl)acrylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.024500670 u |
| Formula | C8H8O2S |
| InChI | InChI=1S/C8H8O2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-5H,1H3,(H,9,10)/b6-5+ |
| InChIKey | MOHSXXGDTJEXNH-AATRIKPKSA-N |
| Molecular Weight | 168.210 g/mol |
| SMILES | C1=CSC(=C1)\C=C\(C(O)=O)C |