| SpectraBase Compound ID | KyQRkXVaixJ |
|---|---|
| InChI | InChI=1S/C19H30OS/c1-3-4-5-6-7-8-9-10-11-12-19(20)21-18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3 |
| InChIKey | MAAFTIJVUBLBOL-UHFFFAOYSA-N |
| Mol Weight | 306.51 g/mol |
| Molecular Formula | C19H30OS |
| Exact Mass | 306.201737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CabazeAfwTp |
|---|---|
| Name | S-(4-Tolyl) dodecanethioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.201736759 u |
| Formula | C19H30OS |
| InChI | InChI=1S/C19H30OS/c1-3-4-5-6-7-8-9-10-11-12-19(20)21-18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3 |
| InChIKey | MAAFTIJVUBLBOL-UHFFFAOYSA-N |
| Molecular Weight | 306.508 g/mol |
| SMILES | C(SC=1C=CC(=CC1)C)(=O)CCCCCCCCCCC |