| SpectraBase Compound ID | 1w8dpmBbDdW |
|---|---|
| InChI | InChI=1S/C23H39NO2S/c1-2-3-4-5-9-12-18-27-19-13-10-7-6-8-11-16-23(25)26-21-22-15-14-17-24-20-22/h14-15,17,20H,2-13,16,18-19,21H2,1H3 |
| InChIKey | FOBKQKHDBWXWAX-UHFFFAOYSA-N |
| Mol Weight | 393.6 g/mol |
| Molecular Formula | C23H39NO2S |
| Exact Mass | 393.270151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 60YkIrlVT6q |
|---|---|
| Name | Picolinyl 10-thia-stearate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.270150672 u |
| Formula | C23H39NO2S |
| InChI | InChI=1S/C23H39NO2S/c1-2-3-4-5-9-12-18-27-19-13-10-7-6-8-11-16-23(25)26-21-22-15-14-17-24-20-22/h14-15,17,20H,2-13,16,18-19,21H2,1H3 |
| InChIKey | FOBKQKHDBWXWAX-UHFFFAOYSA-N |
| Molecular Weight | 393.630 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCCCCCCCSCCCCCCCC)=O |