| SpectraBase Compound ID | 7dM3Nvf2F8k |
|---|---|
| InChI | InChI=1S/C13H11NO2S/c1-16-13(15)10-6-2-3-7-11(10)17-12-8-4-5-9-14-12/h2-9H,1H3 |
| InChIKey | FZILFNSOAUUOIE-UHFFFAOYSA-N |
| Mol Weight | 245.3 g/mol |
| Molecular Formula | C13H11NO2S |
| Exact Mass | 245.05105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6XHksy0KyJt |
|---|---|
| Name | 2-(2-Pyridinylthio)benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.051049770 u |
| Formula | C13H11NO2S |
| InChI | InChI=1S/C13H11NO2S/c1-16-13(15)10-6-2-3-7-11(10)17-12-8-4-5-9-14-12/h2-9H,1H3 |
| InChIKey | FZILFNSOAUUOIE-UHFFFAOYSA-N |
| Molecular Weight | 245.296 g/mol |
| SMILES | C=1(C(SC2=NC=CC=C2)=CC=CC1)C(=O)OC |