| SpectraBase Compound ID | GsI5mXrZLcp |
|---|---|
| InChI | InChI=1S/C4H2F6O/c5-3(6,7)1-2-11-4(8,9)10/h1-2H/b2-1+ |
| InChIKey | GAPMVAAIKCGHNT-OWOJBTEDSA-N |
| Mol Weight | 180.05 g/mol |
| Molecular Formula | C4H2F6O |
| Exact Mass | 180.000984 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bd7Ze7Ghybz |
|---|---|
| Name | Trifluoromethyl 3,3,3-trifluoroprop-1-en-1-yl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.000983661 u |
| Formula | C4H2F6O |
| InChI | InChI=1S/C4H2F6O/c5-3(6,7)1-2-11-4(8,9)10/h1-2H/b2-1+ |
| InChIKey | GAPMVAAIKCGHNT-OWOJBTEDSA-N |
| Molecular Weight | 180.049 g/mol |
| SMILES | C(O\C=C\C(F)(F)F)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917892 |