| SpectraBase Compound ID | KKc3gottr7G |
|---|---|
| InChI | InChI=1S/C6H7F3O2/c1-3-2-4(5(10)11-3)6(7,8)9/h3-4H,2H2,1H3 |
| InChIKey | QYTOOVCITOVYEL-UHFFFAOYSA-N |
| Mol Weight | 168.12 g/mol |
| Molecular Formula | C6H7F3O2 |
| Exact Mass | 168.039814 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3Tm5Bgo2DQZ |
|---|---|
| Name | 4-Methyl-2-(trifluoromethyl)-butyrolactone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.039813952 u |
| Formula | C6H7F3O2 |
| InChI | InChI=1S/C6H7F3O2/c1-3-2-4(5(10)11-3)6(7,8)9/h3-4H,2H2,1H3 |
| InChIKey | QYTOOVCITOVYEL-UHFFFAOYSA-N |
| Molecular Weight | 168.115 g/mol |
| SMILES | C(F)(C1CC(OC1=O)C)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.98209 |