| SpectraBase Compound ID | DwmPgH8YIj3 |
|---|---|
| InChI | InChI=1S/C14H11FO2S/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-9H,1H3 |
| InChIKey | APDUYXVJTHNQNK-UHFFFAOYSA-N |
| Mol Weight | 262.3 g/mol |
| Molecular Formula | C14H11FO2S |
| Exact Mass | 262.046379 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16KQHYWo5lO |
|---|---|
| Name | Methyl 2-(4-fluorophenylsulfanyl)-benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.046378929 u |
| Formula | C14H11FO2S |
| InChI | InChI=1S/C14H11FO2S/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-9H,1H3 |
| InChIKey | APDUYXVJTHNQNK-UHFFFAOYSA-N |
| Molecular Weight | 262.298 g/mol |
| SMILES | C=1(C(SC2=CC=C(C=C2)F)=CC=CC1)C(=O)OC |