| SpectraBase Compound ID | 9fqSm0ta5W4 |
|---|---|
| InChI | InChI=1S/C16H32O2S/c17-16(18)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19/h19H,1-15H2,(H,17,18) |
| InChIKey | INOAASCWQMFJQA-UHFFFAOYSA-N |
| Mol Weight | 288.5 g/mol |
| Molecular Formula | C16H32O2S |
| Exact Mass | 288.212301 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AEVYf7VCzBE |
|---|---|
| Name | 16-Mercaptohexadecanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.212301442 u |
| Formula | C16H32O2S |
| InChI | InChI=1S/C16H32O2S/c17-16(18)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19/h19H,1-15H2,(H,17,18) |
| InChIKey | INOAASCWQMFJQA-UHFFFAOYSA-N |
| SMILES | C(S)CCCCCCCCCCCCCCC(=O)O |