| SpectraBase Compound ID | LSXzazIKn46 |
|---|---|
| InChI | InChI=1S/C12H11F3O2/c13-12(14,15)9-4-1-3-8(7-9)11(16)17-10-5-2-6-10/h1,3-4,7,10H,2,5-6H2 |
| InChIKey | ZVJQRGWNVRGCDH-UHFFFAOYSA-N |
| Mol Weight | 244.21 g/mol |
| Molecular Formula | C12H11F3O2 |
| Exact Mass | 244.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 58dp2MwxL3D |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, cyclobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.071114081 u |
| Formula | C12H11F3O2 |
| InChI | InChI=1S/C12H11F3O2/c13-12(14,15)9-4-1-3-8(7-9)11(16)17-10-5-2-6-10/h1,3-4,7,10H,2,5-6H2 |
| InChIKey | ZVJQRGWNVRGCDH-UHFFFAOYSA-N |
| Molecular Weight | 244.213 g/mol |
| SMILES | C(C1=CC=CC(=C1)C(OC1CCC1)=O)(F)(F)F |