| SpectraBase Compound ID | 1gncvWvUF4o |
|---|---|
| InChI | InChI=1S/C23H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-23(24)21-22-18-17-20-26-22/h17-18,20H,2-16,19,21H2,1H3 |
| InChIKey | LHCGQFDSYCAPOC-UHFFFAOYSA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C23H40O2S |
| Exact Mass | 380.274902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8XJTSb4SL7A |
|---|---|
| Name | Thiophene-2-acetic acid, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.274901700 u |
| Formula | C23H40O2S |
| InChI | InChI=1S/C23H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-23(24)21-22-18-17-20-26-22/h17-18,20H,2-16,19,21H2,1H3 |
| InChIKey | LHCGQFDSYCAPOC-UHFFFAOYSA-N |
| Molecular Weight | 380.631 g/mol |
| SMILES | C(CCCCCCCCCCCC)CCCCOC(=O)CC=1SC=CC1 |