| SpectraBase Compound ID | 2i9VibaIl03 |
|---|---|
| InChI | InChI=1S/C14H27NO3S/c1-3-4-5-6-7-8-13(17)15-9-10-19-14(18)11-12(2)16/h12,16H,3-11H2,1-2H3,(H,15,17) |
| InChIKey | CLRKXQDAEZOMOZ-UHFFFAOYSA-N |
| Mol Weight | 289.43 g/mol |
| Molecular Formula | C14H27NO3S |
| Exact Mass | 289.171165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B66IjwoOnK2 |
|---|---|
| Name | Butanethioic acid, S-3-hydroxy-2-octanamidoethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.171164904 u |
| Formula | C14H27NO3S |
| InChI | InChI=1S/C14H27NO3S/c1-3-4-5-6-7-8-13(17)15-9-10-19-14(18)11-12(2)16/h12,16H,3-11H2,1-2H3,(H,15,17) |
| InChIKey | CLRKXQDAEZOMOZ-UHFFFAOYSA-N |
| SMILES | C(=O)(NCCSC(CC(C)O)=O)CCCCCCC |