| SpectraBase Compound ID | IKgwk3UyoUb |
|---|---|
| InChI | InChI=1S/C20H34O2S/c1-3-5-6-7-8-9-10-11-12-15-18(14-4-2)22-20(21)19-16-13-17-23-19/h13,16-18H,3-12,14-15H2,1-2H3 |
| InChIKey | MRWRVWXWTKNZRI-UHFFFAOYSA-N |
| Mol Weight | 338.6 g/mol |
| Molecular Formula | C20H34O2S |
| Exact Mass | 338.227952 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1nHP3sI9S5n |
|---|---|
| Name | 2-Thiophenecarboxylic acid, 4-pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.227951507 u |
| Formula | C20H34O2S |
| InChI | InChI=1S/C20H34O2S/c1-3-5-6-7-8-9-10-11-12-15-18(14-4-2)22-20(21)19-16-13-17-23-19/h13,16-18H,3-12,14-15H2,1-2H3 |
| InChIKey | MRWRVWXWTKNZRI-UHFFFAOYSA-N |
| Molecular Weight | 338.550 g/mol |
| SMILES | CCCC(OC(=O)C=1SC=CC1)CCCCCCCCCCC |