| SpectraBase Compound ID | CBqYTG7ESBa |
|---|---|
| InChI | InChI=1S/C17H27NO2S/c1-2-12-21-13-7-5-3-4-6-10-17(19)20-15-16-9-8-11-18-14-16/h8-9,11,14H,2-7,10,12-13,15H2,1H3 |
| InChIKey | LJRKLFOQODNNDC-UHFFFAOYSA-N |
| Mol Weight | 309.47 g/mol |
| Molecular Formula | C17H27NO2S |
| Exact Mass | 309.17625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CrY3UlOU4FU |
|---|---|
| Name | Picolinyl 9-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/c1-2-12-21-13-7-5-3-4-6-10-17(19)20-15-16-9-8-11-18-14-16/h8-9,11,14H,2-7,10,12-13,15H2,1H3 |
| InChIKey | LJRKLFOQODNNDC-UHFFFAOYSA-N |
| SMILES | C(CC(=O)OCC1=CC=CN=C1)CCCCCSCCC |