| SpectraBase Compound ID | J78iPKG0Us5 |
|---|---|
| InChI | InChI=1S/C6H5F3O2/c7-6(8,9)5-3(10)1-2-4(5)11/h5H,1-2H2 |
| InChIKey | MKIDRGJURJRSEB-UHFFFAOYSA-N |
| Mol Weight | 166.1 g/mol |
| Molecular Formula | C6H5F3O2 |
| Exact Mass | 166.024164 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CHnTBpd69uP |
|---|---|
| Name | 2-Trifluoromethyl-1,3-cyclopentanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.024163888 u |
| Formula | C6H5F3O2 |
| InChI | InChI=1S/C6H5F3O2/c7-6(8,9)5-3(10)1-2-4(5)11/h5H,1-2H2 |
| InChIKey | MKIDRGJURJRSEB-UHFFFAOYSA-N |
| Molecular Weight | 166.099 g/mol |
| SMILES | C1(C(C(CC1)=O)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811039 |