| SpectraBase Compound ID | FGuMYD90VFz |
|---|---|
| InChI | InChI=1S/C6H7F3O2/c1-5(10)11-4-2-3-6(7,8)9/h2-3H,4H2,1H3/b3-2+ |
| InChIKey | XRNKOIHIBUKMQP-NSCUHMNNSA-N |
| Mol Weight | 168.12 g/mol |
| Molecular Formula | C6H7F3O2 |
| Exact Mass | 168.039814 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BixS1MOsHBE |
|---|---|
| Name | 4,4,4-Trifluorobut-2-en-1-yl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.039813952 u |
| Formula | C6H7F3O2 |
| InChI | InChI=1S/C6H7F3O2/c1-5(10)11-4-2-3-6(7,8)9/h2-3H,4H2,1H3/b3-2+ |
| InChIKey | XRNKOIHIBUKMQP-NSCUHMNNSA-N |
| Molecular Weight | 168.115 g/mol |
| SMILES | C(\C=C\C(F)(F)F)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956697 |