| SpectraBase Compound ID | 1qhAGzU2iMd |
|---|---|
| InChI | InChI=1S/C14H20O2S/c1-3-4-5-6-8-12(2)16-14(15)11-13-9-7-10-17-13/h6-10,12H,3-5,11H2,1-2H3/b8-6+ |
| InChIKey | YDNAYZGNNTUALT-SOFGYWHQSA-N |
| Mol Weight | 252.37 g/mol |
| Molecular Formula | C14H20O2S |
| Exact Mass | 252.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8CVzWsMUTiZ |
|---|---|
| Name | 2-Thiopheneacetic acid, oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.118401056 u |
| Formula | C14H20O2S |
| InChI | InChI=1S/C14H20O2S/c1-3-4-5-6-8-12(2)16-14(15)11-13-9-7-10-17-13/h6-10,12H,3-5,11H2,1-2H3/b8-6+ |
| InChIKey | YDNAYZGNNTUALT-SOFGYWHQSA-N |
| Molecular Weight | 252.372 g/mol |
| SMILES | C1=CC=C(S1)CC(OC(C)\C=C\CCCC)=O |