| SpectraBase Compound ID | 89XDSRY0MC0 |
|---|---|
| InChI | InChI=1S/C17H23F3O2/c1-2-3-4-5-6-7-10-13-22-16(21)14-11-8-9-12-15(14)17(18,19)20/h8-9,11-12H,2-7,10,13H2,1H3 |
| InChIKey | ZZIMIYMZPHJCIO-UHFFFAOYSA-N |
| Mol Weight | 316.36 g/mol |
| Molecular Formula | C17H23F3O2 |
| Exact Mass | 316.165014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JyFSthxEolS |
|---|---|
| Name | 2-(Trifluoromethyl)benzoic acid. nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.165014468 u |
| Formula | C17H23F3O2 |
| InChI | InChI=1S/C17H23F3O2/c1-2-3-4-5-6-7-10-13-22-16(21)14-11-8-9-12-15(14)17(18,19)20/h8-9,11-12H,2-7,10,13H2,1H3 |
| InChIKey | ZZIMIYMZPHJCIO-UHFFFAOYSA-N |
| Molecular Weight | 316.364 g/mol |
| SMILES | C(COC(=O)C1=CC=CC=C1C(F)(F)F)CCCCCCC |