| SpectraBase Compound ID | BwgXmX1saRn |
|---|---|
| InChI | InChI=1S/C16H13F3O2/c1-10-3-8-14(9-11(10)2)21-15(20)12-4-6-13(7-5-12)16(17,18)19/h3-9H,1-2H3 |
| InChIKey | LOQQMVSBHNFBQM-UHFFFAOYSA-N |
| Mol Weight | 294.27 g/mol |
| Molecular Formula | C16H13F3O2 |
| Exact Mass | 294.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8OmRZnWrKaF |
|---|---|
| Name | 4-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/c1-10-3-8-14(9-11(10)2)21-15(20)12-4-6-13(7-5-12)16(17,18)19/h3-9H,1-2H3 |
| InChIKey | LOQQMVSBHNFBQM-UHFFFAOYSA-N |
| Molecular Weight | 294.273 g/mol |
| SMILES | C1(=CC(=CC=C1C)OC(C=1C=CC(C(F)(F)F)=CC1)=O)C |