| SpectraBase Compound ID | 5Vxmp7ulJGe |
|---|---|
| InChI | InChI=1S/C3HBr2F3O/c4-2(5)1(9)3(6,7)8/h2H |
| InChIKey | HEPPAPZASXFWTB-UHFFFAOYSA-N |
| Mol Weight | 269.843 g/mol |
| Molecular Formula | C3HBr2F3O |
| Exact Mass | 267.834625 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4fGIW8ohZM5 |
|---|---|
| Name | 1,1-Dibromo-3,3,3-trifluoroacetone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.834625140 u |
| Formula | C3HBr2F3O |
| InChI | InChI=1S/C3HBr2F3O/c4-2(5)1(9)3(6,7)8/h2H |
| InChIKey | HEPPAPZASXFWTB-UHFFFAOYSA-N |
| Molecular Weight | 269.843 g/mol |
| SMILES | C(F)(F)(C(C(Br)Br)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971479 |