| SpectraBase Compound ID | 4XInOx6l6bn |
|---|---|
| InChI | InChI=1S/C17H15F3O2/c18-17(19,20)15-11-5-4-10-14(15)16(21)22-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2 |
| InChIKey | HOEPWNMGQGNJHH-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 | LABylrKXjdZ |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 3-phenylpropyl 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/c18-17(19,20)15-11-5-4-10-14(15)16(21)22-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11H,6,9,12H2 |
| InChIKey | HOEPWNMGQGNJHH-UHFFFAOYSA-N |
| Molecular Weight | 308.300 g/mol |
| SMILES | C1(=CC=CC=C1)CCCOC(C=1C=CC=CC1C(F)(F)F)=O |