| SpectraBase Compound ID | 6tUX0j1GdLb |
|---|---|
| InChI | InChI=1S/C8H7F7O2/c1-2-3-4-17-5(16)6(9,10)7(11,12)8(13,14)15/h2H,1,3-4H2 |
| InChIKey | ZJZGWTZMUUCZDJ-UHFFFAOYSA-N |
| Mol Weight | 268.13 g/mol |
| Molecular Formula | C8H7F7O2 |
| Exact Mass | 268.033427 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JHufg2lNGms |
|---|---|
| Name | 3-Buten-1-ol, heptafluorobutyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.033426604 u |
| Formula | C8H7F7O2 |
| InChI | InChI=1S/C8H7F7O2/c1-2-3-4-17-5(16)6(9,10)7(11,12)8(13,14)15/h2H,1,3-4H2 |
| InChIKey | ZJZGWTZMUUCZDJ-UHFFFAOYSA-N |
| Molecular Weight | 268.131 g/mol |
| SMILES | C=CCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961529 |