| SpectraBase Compound ID | FCKjrtzzpd6 |
|---|---|
| InChI | InChI=1S/C14H11FO5S/c1-19-14(16)10-2-6-12(7-3-10)20-21(17,18)13-8-4-11(15)5-9-13/h2-9H,1H3 |
| InChIKey | WWTQYWRCBHJWSM-UHFFFAOYSA-N |
| Mol Weight | 310.3 g/mol |
| Molecular Formula | C14H11FO5S |
| Exact Mass | 310.031123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7YHNtEFtkYa |
|---|---|
| Name | 4-(4-Fluorophenyl)sulfonyloxybenzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.031122786 u |
| Formula | C14H11FO5S |
| InChI | InChI=1S/C14H11FO5S/c1-19-14(16)10-2-6-12(7-3-10)20-21(17,18)13-8-4-11(15)5-9-13/h2-9H,1H3 |
| InChIKey | WWTQYWRCBHJWSM-UHFFFAOYSA-N |
| Molecular Weight | 310.295 g/mol |
| SMILES | C1(OS(C=2C=CC(=CC2)F)(=O)=O)=CC=C(C(=O)OC)C=C1 |