| SpectraBase Compound ID | CoLTovbjuxJ |
|---|---|
| InChI | InChI=1S/C12H22F2O/c1-3-5-7-8-10-12(13,14)11(15)9-6-4-2/h3-10H2,1-2H3 |
| InChIKey | KHCGNDICNXJHEV-UHFFFAOYSA-N |
| Mol Weight | 220.3 g/mol |
| Molecular Formula | C12H22F2O |
| Exact Mass | 220.163872 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GNpj8ZoaZR2 |
|---|---|
| Name | 6,6-Difluoro-5-dodecanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.163871653 u |
| Formula | C12H22F2O |
| InChI | InChI=1S/C12H22F2O/c1-3-5-7-8-10-12(13,14)11(15)9-6-4-2/h3-10H2,1-2H3 |
| InChIKey | KHCGNDICNXJHEV-UHFFFAOYSA-N |
| Molecular Weight | 220.304 g/mol |
| SMILES | C(C(=O)CCCC)(F)(F)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.808015 |