| SpectraBase Compound ID | I6a2T1ZfAMC |
|---|---|
| InChI | InChI=1S/C5H6F2O2/c1-3(8)5(6,7)4(2)9/h1-2H3 |
| InChIKey | XVYFWBWYEAQLJC-UHFFFAOYSA-N |
| Mol Weight | 136.1 g/mol |
| Molecular Formula | C5H6F2O2 |
| Exact Mass | 136.033586 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KuFyBjzIcOV |
|---|---|
| Name | 3,3-Difluoropentane-2,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.033585757 u |
| Formula | C5H6F2O2 |
| InChI | InChI=1S/C5H6F2O2/c1-3(8)5(6,7)4(2)9/h1-2H3 |
| InChIKey | XVYFWBWYEAQLJC-UHFFFAOYSA-N |
| Molecular Weight | 136.098 g/mol |
| SMILES | C(C(=O)C)(C(=O)C)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931118 |