| SpectraBase Compound ID | J5g76FAj5DP |
|---|---|
| InChI | InChI=1S/C5H5F3O2/c1-3(2-4(9)10)5(6,7)8/h2H,1H3,(H,9,10) |
| InChIKey | QRRCTLYMABZQCS-UHFFFAOYSA-N |
| Mol Weight | 154.09 g/mol |
| Molecular Formula | C5H5F3O2 |
| Exact Mass | 154.024164 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | J5khFtVgwK4 |
|---|---|
| Name | 3-Methyl-4,4,4-trifluorocrotonic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.024163888 u |
| Formula | C5H5F3O2 |
| InChI | InChI=1S/C5H5F3O2/c1-3(2-4(9)10)5(6,7)8/h2H,1H3,(H,9,10) |
| InChIKey | QRRCTLYMABZQCS-UHFFFAOYSA-N |
| Molecular Weight | 154.088 g/mol |
| SMILES | C(F)(F)(F)C(=CC(O)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.920763 |