| SpectraBase Compound ID | J7eL9BBYbXE |
|---|---|
| InChI | InChI=1S/C6H7F3O4/c1-5(2,3(10)11)13-4(12)6(7,8)9/h1-2H3,(H,10,11) |
| InChIKey | KKKNBLWCXHRHFB-UHFFFAOYSA-N |
| Mol Weight | 200.11 g/mol |
| Molecular Formula | C6H7F3O4 |
| Exact Mass | 200.029643 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | I2JMEiQ9uDK |
|---|---|
| Name | .alpha.-Hydroxyisobutyric acid, trifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.029643190 u |
| Formula | C6H7F3O4 |
| InChI | InChI=1S/C6H7F3O4/c1-5(2,3(10)11)13-4(12)6(7,8)9/h1-2H3,(H,10,11) |
| InChIKey | KKKNBLWCXHRHFB-UHFFFAOYSA-N |
| Molecular Weight | 200.113 g/mol |
| SMILES | CC(C)(OC(C(F)(F)F)=O)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853934 |