| SpectraBase Compound ID | 7IjHjgQGWl9 |
|---|---|
| InChI | InChI=1S/C16H20ClF3O2/c17-11-7-3-1-2-4-8-12-22-15(21)13-9-5-6-10-14(13)16(18,19)20/h5-6,9-10H,1-4,7-8,11-12H2 |
| InChIKey | SXGWJQIWQNQMFD-UHFFFAOYSA-N |
| Mol Weight | 336.78 g/mol |
| Molecular Formula | C16H20ClF3O2 |
| Exact Mass | 336.110392 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 | BoADLBd1Lgu |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.110392071 u |
| Formula | C16H20ClF3O2 |
| InChI | InChI=1S/C16H20ClF3O2/c17-11-7-3-1-2-4-8-12-22-15(21)13-9-5-6-10-14(13)16(18,19)20/h5-6,9-10H,1-4,7-8,11-12H2 |
| InChIKey | SXGWJQIWQNQMFD-UHFFFAOYSA-N |
| Molecular Weight | 336.782 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OCCCCCCCCCl)C(F)(F)F |