| SpectraBase Compound ID | 9lFIdJwVb8q |
|---|---|
| InChI | InChI=1S/C17H15F3O2/c1-2-7-12-8-3-6-11-15(12)22-16(21)13-9-4-5-10-14(13)17(18,19)20/h3-6,8-11H,2,7H2,1H3 |
| InChIKey | JCLMAFWHSQVHQZ-UHFFFAOYSA-N |
| Mol Weight | 308.3 g/mol |
| Molecular Formula | C17H15F3O2 |
| Exact Mass | 308.102414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4zevT4xeUsM |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 2-propylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.102414210 u |
| Formula | C17H15F3O2 |
| InChI | InChI=1S/C17H15F3O2/c1-2-7-12-8-3-6-11-15(12)22-16(21)13-9-4-5-10-14(13)17(18,19)20/h3-6,8-11H,2,7H2,1H3 |
| InChIKey | JCLMAFWHSQVHQZ-UHFFFAOYSA-N |
| Molecular Weight | 308.300 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OC1=CC=CC=C1CCC)C(F)(F)F |