| SpectraBase Compound ID | KKBEBWyDdw9 |
|---|---|
| InChI | InChI=1S/C13H20O2S/c1-2-3-4-5-6-7-10-15-13(14)12-9-8-11-16-12/h8-9,11H,2-7,10H2,1H3 |
| InChIKey | XFZZQJMBWJMTED-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 | IjnPXtApFHC |
|---|---|
| Name | 2-Thiophenecarboxylic acid, octyl 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/c1-2-3-4-5-6-7-10-15-13(14)12-9-8-11-16-12/h8-9,11H,2-7,10H2,1H3 |
| InChIKey | XFZZQJMBWJMTED-UHFFFAOYSA-N |
| Molecular Weight | 240.361 g/mol |
| SMILES | CCCCCCCCOC(=O)C=1SC=CC1 |