| SpectraBase Compound ID | 2VldQ5kIXJ |
|---|---|
| InChI | InChI=1S/C22H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-22(23)21-18-17-20-25-21/h17-18,20H,2-16,19H2,1H3 |
| InChIKey | FGQHADXYECOWFP-UHFFFAOYSA-N |
| Mol Weight | 366.6 g/mol |
| Molecular Formula | C22H38O2S |
| Exact Mass | 366.259252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IqJ4DR9qMa |
|---|---|
| Name | 2-Thiophenecarboxylic acid, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.259251636 u |
| Formula | C22H38O2S |
| InChI | InChI=1S/C22H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-22(23)21-18-17-20-25-21/h17-18,20H,2-16,19H2,1H3 |
| InChIKey | FGQHADXYECOWFP-UHFFFAOYSA-N |
| Molecular Weight | 366.604 g/mol |
| SMILES | C(CCCCCCCCCCCC)CCCCOC(=O)C=1SC=CC1 |