| SpectraBase Compound ID | J9SFlDkFbdb |
|---|---|
| InChI | InChI=1S/C8H7F7O3/c1-2-18-5(17)3-4(16)6(9,10)7(11,12)8(13,14)15/h2-3H2,1H3 |
| InChIKey | CMGCMFZWEPCGSQ-UHFFFAOYSA-N |
| Mol Weight | 284.13 g/mol |
| Molecular Formula | C8H7F7O3 |
| Exact Mass | 284.028341 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HGESKkgBAwH |
|---|---|
| Name | Ethyl heptafluorobutanoylacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.028341223 u |
| Formula | C8H7F7O3 |
| InChI | InChI=1S/C8H7F7O3/c1-2-18-5(17)3-4(16)6(9,10)7(11,12)8(13,14)15/h2-3H2,1H3 |
| InChIKey | CMGCMFZWEPCGSQ-UHFFFAOYSA-N |
| Molecular Weight | 284.130 g/mol |
| SMILES | C(C(CC(OCC)=O)=O)(F)(F)C(F)(F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979229 |