| SpectraBase Compound ID | 4oR9vsAybRi |
|---|---|
| InChI | InChI=1S/C9H9F7O2/c1-2-3-4-5-18-6(17)7(10,11)8(12,13)9(14,15)16/h2H,1,3-5H2 |
| InChIKey | MKWUEUCXZXKDSB-UHFFFAOYSA-N |
| Mol Weight | 282.16 g/mol |
| Molecular Formula | C9H9F7O2 |
| Exact Mass | 282.049077 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6HizP5FD66V |
|---|---|
| Name | 4-Penten-1-ol, heptafluorobutyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.049076669 u |
| Formula | C9H9F7O2 |
| InChI | InChI=1S/C9H9F7O2/c1-2-3-4-5-18-6(17)7(10,11)8(12,13)9(14,15)16/h2H,1,3-5H2 |
| InChIKey | MKWUEUCXZXKDSB-UHFFFAOYSA-N |
| Molecular Weight | 282.158 g/mol |
| SMILES | C=CCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948979 |