| SpectraBase Compound ID | 2x491rYqeL7 |
|---|---|
| InChI | InChI=1S/C14H16ClF3O2/c15-9-3-1-2-4-10-20-13(19)11-5-7-12(8-6-11)14(16,17)18/h5-8H,1-4,9-10H2 |
| InChIKey | ATDMJASELKOCNV-UHFFFAOYSA-N |
| Mol Weight | 308.73 g/mol |
| Molecular Formula | C14H16ClF3O2 |
| Exact Mass | 308.079092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FehQyWUAFI7 |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 6-chlorohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.079091942 u |
| Formula | C14H16ClF3O2 |
| InChI | InChI=1S/C14H16ClF3O2/c15-9-3-1-2-4-10-20-13(19)11-5-7-12(8-6-11)14(16,17)18/h5-8H,1-4,9-10H2 |
| InChIKey | ATDMJASELKOCNV-UHFFFAOYSA-N |
| Molecular Weight | 308.728 g/mol |
| SMILES | C(CCl)CCCCOC(C1=CC=C(C(F)(F)F)C=C1)=O |