| SpectraBase Compound ID | BBvdBYZOU7I |
|---|---|
| InChI | InChI=1S/C23H40O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22(26-21)23(24)25-2/h19-20H,3-18H2,1-2H3 |
| InChIKey | YEUDEXSLHXHCJL-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 | HYP24By8JUK |
|---|---|
| Name | 2-Thiophenecarboxylic acid, 5-heptadecyl-, methyl 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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22(26-21)23(24)25-2/h19-20H,3-18H2,1-2H3 |
| InChIKey | YEUDEXSLHXHCJL-UHFFFAOYSA-N |
| Molecular Weight | 380.631 g/mol |
| SMILES | C1=C(SC(=C1)C(OC)=O)CCCCCCCCCCCCCCCCC |