| SpectraBase Compound ID | 4ElH04dJw8K |
|---|---|
| InChI | InChI=1S/C10H9F3O2/c1-2-15-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3 |
| InChIKey | ZQDADDSPMCHZPX-UHFFFAOYSA-N |
| Mol Weight | 218.18 g/mol |
| Molecular Formula | C10H9F3O2 |
| Exact Mass | 218.055464 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 37Ld7CA3B4V |
|---|---|
| Name | Ethyl 4-(trifluoromethyl)benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.055464017 u |
| Formula | C10H9F3O2 |
| InChI | InChI=1S/C10H9F3O2/c1-2-15-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3 |
| InChIKey | ZQDADDSPMCHZPX-UHFFFAOYSA-N |
| Molecular Weight | 218.175 g/mol |
| SMILES | C1(=CC=C(C=C1)C(F)(F)F)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946585 |