| SpectraBase Compound ID | GHZpbS5cIZV |
|---|---|
| InChI | InChI=1S/C13H8F2O2/c14-10-5-3-4-9(8-10)13(16)17-12-7-2-1-6-11(12)15/h1-8H |
| InChIKey | VBLVJTDYDDZHDZ-UHFFFAOYSA-N |
| Mol Weight | 234.2 g/mol |
| Molecular Formula | C13H8F2O2 |
| Exact Mass | 234.049236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1jS0Ti0R04z |
|---|---|
| Name | 3-Fluorobenzoic acid, 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.049235822 u |
| Formula | C13H8F2O2 |
| InChI | InChI=1S/C13H8F2O2/c14-10-5-3-4-9(8-10)13(16)17-12-7-2-1-6-11(12)15/h1-8H |
| InChIKey | VBLVJTDYDDZHDZ-UHFFFAOYSA-N |
| Molecular Weight | 234.202 g/mol |
| SMILES | C(C1=CC=CC(=C1)F)(OC1=C(C=CC=C1)F)=O |