| SpectraBase Compound ID | 3BJXIZcZe0x |
|---|---|
| InChI | InChI=1S/C14H12FNO4/c1-2-20-14(19)11(15)7-8-16-12(17)9-5-3-4-6-10(9)13(16)18/h3-7H,2,8H2,1H3 |
| InChIKey | BQEMWQBRVMVXCY-UHFFFAOYSA-N |
| Mol Weight | 277.25 g/mol |
| Molecular Formula | C14H12FNO4 |
| Exact Mass | 277.075036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbiBC0dCh5q |
|---|---|
| Name | 1,3-Dioxo-alpha-fluoro-2-isoindolinecrotonic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.075036029 u |
| Formula | C14H12FNO4 |
| InChI | InChI=1S/C14H12FNO4/c1-2-20-14(19)11(15)7-8-16-12(17)9-5-3-4-6-10(9)13(16)18/h3-7H,2,8H2,1H3 |
| InChIKey | BQEMWQBRVMVXCY-UHFFFAOYSA-N |
| Molecular Weight | 277.251 g/mol |
| SMILES | C1=CC=CC2=C1C(=O)N(C2=O)CC=C(F)C(=O)OCC |