| SpectraBase Compound ID | 8aj0FkM4SKn |
|---|---|
| InChI | InChI=1S/C5H3Cl2F5O2/c6-2(7)1-14-3(13)4(8,9)5(10,11)12/h2H,1H2 |
| InChIKey | ONCRNEFWCLFTPM-UHFFFAOYSA-N |
| Mol Weight | 260.98 g/mol |
| Molecular Formula | C5H3Cl2F5O2 |
| Exact Mass | 259.943026 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2K6g6NrxS5q |
|---|---|
| Name | 2,2-Dichloroethanol, pentafluoropropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.943025550 u |
| Formula | C5H3Cl2F5O2 |
| InChI | InChI=1S/C5H3Cl2F5O2/c6-2(7)1-14-3(13)4(8,9)5(10,11)12/h2H,1H2 |
| InChIKey | ONCRNEFWCLFTPM-UHFFFAOYSA-N |
| Molecular Weight | 260.975 g/mol |
| SMILES | C(Cl)(COC(C(C(F)(F)F)(F)F)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976911 |