| SpectraBase Compound ID | HbXZDCIq0a3 |
|---|---|
| InChI | InChI=1S/C14H8F2O3/c15-11-5-1-3-9(7-11)13(17)19-14(18)10-4-2-6-12(16)8-10/h1-8H |
| InChIKey | VWBDYQNOIRKCSH-UHFFFAOYSA-N |
| Mol Weight | 262.21 g/mol |
| Molecular Formula | C14H8F2O3 |
| Exact Mass | 262.04415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BaIfb80Yz5w |
|---|---|
| Name | Benzoic acid, 3-fluoro-, anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.044150441 u |
| Formula | C14H8F2O3 |
| InChI | InChI=1S/C14H8F2O3/c15-11-5-1-3-9(7-11)13(17)19-14(18)10-4-2-6-12(16)8-10/h1-8H |
| InChIKey | VWBDYQNOIRKCSH-UHFFFAOYSA-N |
| Molecular Weight | 262.212 g/mol |
| SMILES | C(OC(=O)C1=CC(F)=CC=C1)(=O)C1=CC(F)=CC=C1 |