| SpectraBase Compound ID | DAWD5IVGJbG |
|---|---|
| InChI | InChI=1S/C14H17F3O2/c1-3-6-10(2)9-19-13(18)11-7-4-5-8-12(11)14(15,16)17/h4-5,7-8,10H,3,6,9H2,1-2H3 |
| InChIKey | DMMOPVJIZDICMU-UHFFFAOYSA-N |
| Mol Weight | 274.28 g/mol |
| Molecular Formula | C14H17F3O2 |
| Exact Mass | 274.118064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8spYRo4Ne6p |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 2-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.118064274 u |
| Formula | C14H17F3O2 |
| InChI | InChI=1S/C14H17F3O2/c1-3-6-10(2)9-19-13(18)11-7-4-5-8-12(11)14(15,16)17/h4-5,7-8,10H,3,6,9H2,1-2H3 |
| InChIKey | DMMOPVJIZDICMU-UHFFFAOYSA-N |
| Molecular Weight | 274.283 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OCC(CCC)C)C(F)(F)F |