| SpectraBase Compound ID | 8kyzEcb3ymz |
|---|---|
| InChI | InChI=1S/C19H32O2S/c1-3-5-6-7-8-9-10-11-13-17(4-2)21-19(20)16-18-14-12-15-22-18/h12,14-15,17H,3-11,13,16H2,1-2H3 |
| InChIKey | NNMRJMNUSCUKMS-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O2S |
| Exact Mass | 324.212301 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FmGAfmjOG74 |
|---|---|
| Name | 2-Thiopheneacetic acid, 3-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.212301442 u |
| Formula | C19H32O2S |
| InChI | InChI=1S/C19H32O2S/c1-3-5-6-7-8-9-10-11-13-17(4-2)21-19(20)16-18-14-12-15-22-18/h12,14-15,17H,3-11,13,16H2,1-2H3 |
| InChIKey | NNMRJMNUSCUKMS-UHFFFAOYSA-N |
| SMILES | CCC(CCCCCCCCCC)OC(=O)CC=1SC=CC1 |