| SpectraBase Compound ID | BhbaRB6QVZv |
|---|---|
| InChI | InChI=1S/C14H11FO2S/c15-11-5-4-6-12(9-11)17-14(16)10-18-13-7-2-1-3-8-13/h1-9H,10H2 |
| InChIKey | QMOJXIIMYTXGLY-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 | 77x4uPuM2CB |
|---|---|
| Name | Phenylthioacetic acid, 3-fluorophenyl ester |
| 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/c15-11-5-4-6-12(9-11)17-14(16)10-18-13-7-2-1-3-8-13/h1-9H,10H2 |
| InChIKey | QMOJXIIMYTXGLY-UHFFFAOYSA-N |
| Molecular Weight | 262.298 g/mol |
| SMILES | C(CSC1=CC=CC=C1)(OC1=CC=CC(=C1)F)=O |