| SpectraBase Compound ID | 3qgrarVlrTT |
|---|---|
| InChI | InChI=1S/C18H30O2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-18(19)17-14-13-16-21-17/h13-14,16H,2-12,15H2,1H3 |
| InChIKey | QJCCOMRFRKFJQT-UHFFFAOYSA-N |
| Mol Weight | 310.5 g/mol |
| Molecular Formula | C18H30O2S |
| Exact Mass | 310.196651 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AxgGy4qgSHN |
|---|---|
| Name | 2-Thiophenecarboxylic acid, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.196651378 u |
| Formula | C18H30O2S |
| InChI | InChI=1S/C18H30O2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-18(19)17-14-13-16-21-17/h13-14,16H,2-12,15H2,1H3 |
| InChIKey | QJCCOMRFRKFJQT-UHFFFAOYSA-N |
| Molecular Weight | 310.496 g/mol |
| SMILES | CCCCCCCCCCCCCOC(=O)C=1SC=CC1 |