| SpectraBase Compound ID | Ak3DAwWFMVv |
|---|---|
| InChI | InChI=1S/C16H16O2S/c1-3-18-16(17)13-6-10-15(11-7-13)19-14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3 |
| InChIKey | WNNUWZJUTAZDAS-UHFFFAOYSA-N |
| Mol Weight | 272.36 g/mol |
| Molecular Formula | C16H16O2S |
| Exact Mass | 272.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LFr4Agg1EvX |
|---|---|
| Name | 4-(p-Tolylthio)benzoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.087100927 u |
| Formula | C16H16O2S |
| InChI | InChI=1S/C16H16O2S/c1-3-18-16(17)13-6-10-15(11-7-13)19-14-8-4-12(2)5-9-14/h4-11H,3H2,1-2H3 |
| InChIKey | WNNUWZJUTAZDAS-UHFFFAOYSA-N |
| Molecular Weight | 272.362 g/mol |
| SMILES | C(C=1C=CC(SC=2C=CC(=CC2)C)=CC1)(=O)OCC |