| SpectraBase Compound ID | 54ucI95yAcs |
|---|---|
| InChI | InChI=1S/C17H27NO2S/c1-2-3-6-12-21-13-7-4-5-10-17(19)20-15-16-9-8-11-18-14-16/h8-9,11,14H,2-7,10,12-13,15H2,1H3 |
| InChIKey | JAKIKIRZLLINTH-UHFFFAOYSA-N |
| Mol Weight | 309.47 g/mol |
| Molecular Formula | C17H27NO2S |
| Exact Mass | 309.17625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L262cTKQWjm |
|---|---|
| Name | Picolinyl 7-thia-laurate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.176250285 u |
| Formula | C17H27NO2S |
| InChI | InChI=1S/C17H27NO2S/c1-2-3-6-12-21-13-7-4-5-10-17(19)20-15-16-9-8-11-18-14-16/h8-9,11,14H,2-7,10,12-13,15H2,1H3 |
| InChIKey | JAKIKIRZLLINTH-UHFFFAOYSA-N |
| SMILES | C(CC(=O)OCC1=CC=CN=C1)CCCSCCCCC |