| SpectraBase Compound ID | JxIqjG5cZqV |
|---|---|
| InChI | InChI=1S/C18H25F3O2/c1-2-3-4-5-6-7-8-11-14-23-17(22)15-12-9-10-13-16(15)18(19,20)21/h9-10,12-13H,2-8,11,14H2,1H3 |
| InChIKey | SWRQLHZQPPQQFV-UHFFFAOYSA-N |
| Mol Weight | 330.39 g/mol |
| Molecular Formula | C18H25F3O2 |
| Exact Mass | 330.180665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Ecav3sRuyM |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.180664532 u |
| Formula | C18H25F3O2 |
| InChI | InChI=1S/C18H25F3O2/c1-2-3-4-5-6-7-8-11-14-23-17(22)15-12-9-10-13-16(15)18(19,20)21/h9-10,12-13H,2-8,11,14H2,1H3 |
| InChIKey | SWRQLHZQPPQQFV-UHFFFAOYSA-N |
| Molecular Weight | 330.391 g/mol |
| SMILES | C1=CC(C(OCCCCCCCCCC)=O)=C(C=C1)C(F)(F)F |