| SpectraBase Compound ID | FGF54qBceKo |
|---|---|
| InChI | InChI=1S/C9H8F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13) |
| InChIKey | UOZIYCHJMUNLIG-UHFFFAOYSA-N |
| Mol Weight | 186.16 g/mol |
| Molecular Formula | C9H8F2O2 |
| Exact Mass | 186.049236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BIB3K4CczjJ |
|---|---|
| Name | 3-(3,4-Difluorophenyl)propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.049235822 u |
| Formula | C9H8F2O2 |
| InChI | InChI=1S/C9H8F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13) |
| InChIKey | UOZIYCHJMUNLIG-UHFFFAOYSA-N |
| Molecular Weight | 186.158 g/mol |
| SMILES | OC(CCC1=CC(=C(C=C1)F)F)=O |