| SpectraBase Compound ID | JR51l1iYNqU |
|---|---|
| InChI | InChI=1S/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13(17)14(15)16/h13,17H,2-12H2,1H3,(H,15,16) |
| InChIKey | ITOLXGQFDAFXMV-UHFFFAOYSA-N |
| Mol Weight | 260.44 g/mol |
| Molecular Formula | C14H28O2S |
| Exact Mass | 260.181001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18QpToUGhZF |
|---|---|
| Name | Tetradecanoic acid, 2-mercapto- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.181001314 u |
| Formula | C14H28O2S |
| InChI | InChI=1S/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13(17)14(15)16/h13,17H,2-12H2,1H3,(H,15,16) |
| InChIKey | ITOLXGQFDAFXMV-UHFFFAOYSA-N |
| Molecular Weight | 260.436 g/mol |
| SMILES | C(=O)(C(S)CCCCCCCCCCCC)O |