| SpectraBase Compound ID | HvbxEsIcnff |
|---|---|
| InChI | InChI=1S/C8H12F2O2/c1-2-3-6-12-8(11)5-4-7(9)10/h4H,2-3,5-6H2,1H3 |
| InChIKey | SCMAHJMFGKMURD-UHFFFAOYSA-N |
| Mol Weight | 178.18 g/mol |
| Molecular Formula | C8H12F2O2 |
| Exact Mass | 178.080536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ed0uwFGLbg6 |
|---|---|
| Name | Butyl 4,4-difluoro-3-butenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.080535950 u |
| Formula | C8H12F2O2 |
| InChI | InChI=1S/C8H12F2O2/c1-2-3-6-12-8(11)5-4-7(9)10/h4H,2-3,5-6H2,1H3 |
| InChIKey | SCMAHJMFGKMURD-UHFFFAOYSA-N |
| Molecular Weight | 178.179 g/mol |
| SMILES | C(=CCC(=O)OCCCC)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898173 |