| SpectraBase Compound ID | 3fEXUYEYnyu |
|---|---|
| InChI | InChI=1S/C10H8ClF3O2/c11-5-6-16-9(15)7-1-3-8(4-2-7)10(12,13)14/h1-4H,5-6H2 |
| InChIKey | XZCMMDAAWGKNIC-UHFFFAOYSA-N |
| Mol Weight | 252.62 g/mol |
| Molecular Formula | C10H8ClF3O2 |
| Exact Mass | 252.016492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6btS8OVs8VO |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 2-chloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.016491685 u |
| Formula | C10H8ClF3O2 |
| InChI | InChI=1S/C10H8ClF3O2/c11-5-6-16-9(15)7-1-3-8(4-2-7)10(12,13)14/h1-4H,5-6H2 |
| InChIKey | XZCMMDAAWGKNIC-UHFFFAOYSA-N |
| Molecular Weight | 252.620 g/mol |
| SMILES | C(Cl)COC(C1=CC=C(C(F)(F)F)C=C1)=O |