| SpectraBase Compound ID | JFtqrMkkBzz |
|---|---|
| InChI | InChI=1S/C16H19F3O2/c1-10-7-11(2)9-14(8-10)21-15(20)12-3-5-13(6-4-12)16(17,18)19/h3-6,10-11,14H,7-9H2,1-2H3 |
| InChIKey | OCBDFHQJDHHDMG-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 | IaCqtgaKJRp |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 3,5-dimethylcyclohexyl 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/c1-10-7-11(2)9-14(8-10)21-15(20)12-3-5-13(6-4-12)16(17,18)19/h3-6,10-11,14H,7-9H2,1-2H3 |
| InChIKey | OCBDFHQJDHHDMG-UHFFFAOYSA-N |
| Molecular Weight | 300.321 g/mol |
| SMILES | CC1CC(C)CC(C1)OC(=O)C1=CC=C(C(F)(F)F)C=C1 |