| SpectraBase Compound ID | 8VQnGltMGWF |
|---|---|
| InChI | InChI=1S/C10H9F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-3,6H,4-5H2,(H,14,15) |
| InChIKey | YLTJJMIWCCJIHI-UHFFFAOYSA-N |
| Mol Weight | 218.18 g/mol |
| Molecular Formula | C10H9F3O2 |
| Exact Mass | 218.055464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9rZDTt697pf |
|---|---|
| Name | 3-(3-Trifluoromethylphenyl)propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.055464017 u |
| Formula | C10H9F3O2 |
| InChI | InChI=1S/C10H9F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-3,6H,4-5H2,(H,14,15) |
| InChIKey | YLTJJMIWCCJIHI-UHFFFAOYSA-N |
| Molecular Weight | 218.175 g/mol |
| SMILES | C(F)(F)(F)C=1C=CC=C(CCC(O)=O)C1 |