| SpectraBase Compound ID | 72LIR0Uz3M2 |
|---|---|
| InChI | InChI=1S/C17H28O2S/c1-2-3-4-5-6-7-8-9-10-11-14-19-17(18)16-13-12-15-20-16/h12-13,15H,2-11,14H2,1H3 |
| InChIKey | PYZDYCGDZMYSJQ-UHFFFAOYSA-N |
| Mol Weight | 296.47 g/mol |
| Molecular Formula | C17H28O2S |
| Exact Mass | 296.181001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EX93zMpCffg |
|---|---|
| Name | 2-Thiophenecarboxylic acid, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.181001314 u |
| Formula | C17H28O2S |
| InChI | InChI=1S/C17H28O2S/c1-2-3-4-5-6-7-8-9-10-11-14-19-17(18)16-13-12-15-20-16/h12-13,15H,2-11,14H2,1H3 |
| InChIKey | PYZDYCGDZMYSJQ-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCOC(=O)C=1SC=CC1 |