| SpectraBase Compound ID | HVkFEtoumNr |
|---|---|
| InChI | InChI=1S/C13H20O2S/c1-2-3-4-5-6-9-15-13(14)11-12-8-7-10-16-12/h7-8,10H,2-6,9,11H2,1H3 |
| InChIKey | SMBURDUAEXPIKP-UHFFFAOYSA-N |
| Mol Weight | 240.36 g/mol |
| Molecular Formula | C13H20O2S |
| Exact Mass | 240.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IBH60XNBk2Z |
|---|---|
| Name | 2-Thiopheneacetic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.118401056 u |
| Formula | C13H20O2S |
| InChI | InChI=1S/C13H20O2S/c1-2-3-4-5-6-9-15-13(14)11-12-8-7-10-16-12/h7-8,10H,2-6,9,11H2,1H3 |
| InChIKey | SMBURDUAEXPIKP-UHFFFAOYSA-N |
| Molecular Weight | 240.361 g/mol |
| SMILES | CCCCCCCOC(=O)CC=1SC=CC1 |