| SpectraBase Compound ID | EPPrJritsSQ |
|---|---|
| InChI | InChI=1S/C16H19F3O2/c1-2-11-6-3-4-9-14(11)21-15(20)12-7-5-8-13(10-12)16(17,18)19/h5,7-8,10-11,14H,2-4,6,9H2,1H3 |
| InChIKey | SHFXEBAEQMJKNM-UHFFFAOYSA-N |
| Mol Weight | 300.32 g/mol |
| Molecular Formula | C16H19F3O2 |
| Exact Mass | 300.133714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BT0xVaOOzqt |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.133714339 u |
| Formula | C16H19F3O2 |
| InChI | InChI=1S/C16H19F3O2/c1-2-11-6-3-4-9-14(11)21-15(20)12-7-5-8-13(10-12)16(17,18)19/h5,7-8,10-11,14H,2-4,6,9H2,1H3 |
| InChIKey | SHFXEBAEQMJKNM-UHFFFAOYSA-N |
| Molecular Weight | 300.321 g/mol |
| SMILES | C1=CC(C(OC2CCCCC2CC)=O)=CC(=C1)C(F)(F)F |