| SpectraBase Compound ID | BrCE1LgDQeN |
|---|---|
| InChI | InChI=1S/C5H7BrF2O2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3 |
| InChIKey | IWVAHMZNWCTWBQ-UHFFFAOYSA-N |
| Mol Weight | 217.01 g/mol |
| Molecular Formula | C5H7BrF2O2 |
| Exact Mass | 215.959749 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HCjBwhmcDSg |
|---|---|
| Name | 2-Bromo-2,2-difluoro-acetic acid isopropyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.959748789 u |
| Formula | C5H7BrF2O2 |
| InChI | InChI=1S/C5H7BrF2O2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3 |
| InChIKey | IWVAHMZNWCTWBQ-UHFFFAOYSA-N |
| Molecular Weight | 217.010 g/mol |
| SMILES | C(C(OC(C)C)=O)(F)(F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849748 |