| SpectraBase Compound ID | JmXObKeHDVU |
|---|---|
| InChI | InChI=1S/C4H5F3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9) |
| InChIKey | WTUCTMYLCMVYEX-UHFFFAOYSA-N |
| Mol Weight | 142.08 g/mol |
| Molecular Formula | C4H5F3O2 |
| Exact Mass | 142.024164 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3ek6FdBYa7C |
|---|---|
| Name | 4,4,4-trifluorobutanoic acid |
| Appearance | Yellow solid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.024163888 u |
| Formula | C4H5F3O2 |
| InChI | InChI=1S/C4H5F3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9) |
| InChIKey | WTUCTMYLCMVYEX-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 142.077 g/mol |
| Quality | 22 |
| SMILES | OC(CCC(F)(F)F)=O |
| SPLASH | splash10-004i-9000000000-9b80204fe6afbb2eaf15 |
| Source of Spectrum | WO2022206399A1 |
| Wiley ID | 1895028 |