| SpectraBase Compound ID | 9joow97sbAH |
|---|---|
| InChI | InChI=1S/C8H6O2S/c1-2-5-10-8(9)7-4-3-6-11-7/h1,3-4,6H,5H2 |
| InChIKey | NNCGGZWKUUKMCS-UHFFFAOYSA-N |
| Mol Weight | 166.19 g/mol |
| Molecular Formula | C8H6O2S |
| Exact Mass | 166.008851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Sw8i5tST4G |
|---|---|
| Name | 2-Thiophenecarboxylic acid, 2-propynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.008850605 u |
| Formula | C8H6O2S |
| InChI | InChI=1S/C8H6O2S/c1-2-5-10-8(9)7-4-3-6-11-7/h1,3-4,6H,5H2 |
| InChIKey | NNCGGZWKUUKMCS-UHFFFAOYSA-N |
| Molecular Weight | 166.194 g/mol |
| SMILES | C1=C(SC=C1)C(OCC#C)=O |