![Benzyl [(1'-oxidopyridin-2'-yl)thio]-acetate](/api/spectrum/2FVDCwbfT30/structure.png?h=300&w=458 "Benzyl [(1'-oxidopyridin-2'-yl)thio]-acetate")
| SpectraBase Compound ID | 8PMcMVUMuxm |
|---|---|
| InChI | InChI=1S/C14H13NO3S/c16-14(18-10-12-6-2-1-3-7-12)11-19-13-8-4-5-9-15(13)17/h1-9H,10-11H2 |
| InChIKey | GEOTZWKALJOJPM-UHFFFAOYSA-N |
| Mol Weight | 275.32 g/mol |
| Molecular Formula | C14H13NO3S |
| Exact Mass | 275.061614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2FVDCwbfT30 |
|---|---|
| Name | Benzyl [(1'-oxidopyridin-2'-yl)thio]-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.061614454 u |
| Formula | C14H13NO3S |
| InChI | InChI=1S/C14H13NO3S/c16-14(18-10-12-6-2-1-3-7-12)11-19-13-8-4-5-9-15(13)17/h1-9H,10-11H2 |
| InChIKey | GEOTZWKALJOJPM-UHFFFAOYSA-N |
| SMILES | C1(=[N+](C=CC=C1)[O-])SCC(=O)OCC=1C=CC=CC1 |