| SpectraBase Compound ID | 9d6V8o9GqmG |
|---|---|
| InChI | InChI=1S/C16H13FO4/c1-2-15(18)20-13-4-3-5-14(10-13)21-16(19)11-6-8-12(17)9-7-11/h3-10H,2H2,1H3 |
| InChIKey | KPTFAKJQTLZVFJ-UHFFFAOYSA-N |
| Mol Weight | 288.27 g/mol |
| Molecular Formula | C16H13FO4 |
| Exact Mass | 288.079787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CiXbS090uRN |
|---|---|
| Name | 1,3-Benzenediol, o-(4-fluorobenzoyl)-o'-propionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.079787058 u |
| Formula | C16H13FO4 |
| InChI | InChI=1S/C16H13FO4/c1-2-15(18)20-13-4-3-5-14(10-13)21-16(19)11-6-8-12(17)9-7-11/h3-10H,2H2,1H3 |
| InChIKey | KPTFAKJQTLZVFJ-UHFFFAOYSA-N |
| Molecular Weight | 288.274 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(C1=CC=C(C=C1)F)=O)OC(CC)=O |