| SpectraBase Compound ID | KUTqM83BPT7 |
|---|---|
| InChI | InChI=1S/C10H9FO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h2-6H,1,7H2 |
| InChIKey | SMRXVRHVNBWPFE-UHFFFAOYSA-N |
| Mol Weight | 180.18 g/mol |
| Molecular Formula | C10H9FO2 |
| Exact Mass | 180.058658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9dRahAEQ194 |
|---|---|
| Name | 4-Fluorobenzoic acid, allyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.058657691 u |
| Formula | C10H9FO2 |
| InChI | InChI=1S/C10H9FO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h2-6H,1,7H2 |
| InChIKey | SMRXVRHVNBWPFE-UHFFFAOYSA-N |
| Molecular Weight | 180.178 g/mol |
| SMILES | C=CCOC(=O)C=1C=CC(F)=CC1 |