| SpectraBase Compound ID | d7KHoB5S1W |
|---|---|
| InChI | InChI=1S/C13H23NOS/c1-13(15)16-12-10-8-6-4-2-3-5-7-9-11-14/h2-10,12H2,1H3 |
| InChIKey | LPHMFGDHCJLUIR-UHFFFAOYSA-N |
| Mol Weight | 241.39 g/mol |
| Molecular Formula | C13H23NOS |
| Exact Mass | 241.150036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Sod0MgDra9 |
|---|---|
| Name | Ethanethioic acid, S-(10-cyanodecyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.150035538 u |
| Formula | C13H23NOS |
| InChI | InChI=1S/C13H23NOS/c1-13(15)16-12-10-8-6-4-2-3-5-7-9-11-14/h2-10,12H2,1H3 |
| InChIKey | LPHMFGDHCJLUIR-UHFFFAOYSA-N |
| Molecular Weight | 241.393 g/mol |
| SMILES | CC(=O)SCCCCCCCCCCC#N |