| SpectraBase Compound ID | 3uR0Fq5sf7b |
|---|---|
| InChI | InChI=1S/C16H13F3O2/c1-10-7-8-12(9-11(10)2)21-15(20)13-5-3-4-6-14(13)16(17,18)19/h3-9H,1-2H3 |
| InChIKey | QALFVTMCDHMCPP-UHFFFAOYSA-N |
| Mol Weight | 294.27 g/mol |
| Molecular Formula | C16H13F3O2 |
| Exact Mass | 294.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfoewOlfEfT |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.086764146 u |
| Formula | C16H13F3O2 |
| InChI | InChI=1S/C16H13F3O2/c1-10-7-8-12(9-11(10)2)21-15(20)13-5-3-4-6-14(13)16(17,18)19/h3-9H,1-2H3 |
| InChIKey | QALFVTMCDHMCPP-UHFFFAOYSA-N |
| Molecular Weight | 294.273 g/mol |
| SMILES | C1(=CC=CC=C1C(=O)OC1=CC=C(C)C(C)=C1)C(F)(F)F |