| SpectraBase Compound ID | EDBKTXejMi5 |
|---|---|
| InChI | InChI=1S/2C10H9FO3/c2*1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3;2-6,12H,1H3/b;9-6- |
| InChIKey | XYUDYFDZVUGRDP-UGCXORAOSA-N |
| Mol Weight | 196.18 g/mol |
| Molecular Formula | C10H9FO3 |
| Exact Mass | 196.053572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOCStQGICr4 |
|---|---|
| Name | Methyl (p-fluorobenzoyl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.053572310 u |
| Formula | C10H9FO3 |
| InChI | InChI=1S/2C10H9FO3/c2*1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3;2-6,12H,1H3/b;9-6- |
| InChIKey | XYUDYFDZVUGRDP-UGCXORAOSA-N |
| Molecular Weight | 196.177 g/mol |
| SMILES | C=1C(=CC=C(C1)F)\C(=C\C(OC)=O)O.C=1C(=CC=C(C1)F)C(CC(=O)OC)=O |