| SpectraBase Compound ID | HkswBs1OnJx |
|---|---|
| InChI | InChI=1S/C7H9F3O2/c1-3-4-5(2)12-6(11)7(8,9)10/h3,5H,1,4H2,2H3 |
| InChIKey | AYIRUBDOOSWFMC-UHFFFAOYSA-N |
| Mol Weight | 182.14 g/mol |
| Molecular Formula | C7H9F3O2 |
| Exact Mass | 182.055464 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FE34qCq4Jkp |
|---|---|
| Name | 4-Penten-2-ol, trifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.055464017 u |
| Formula | C7H9F3O2 |
| InChI | InChI=1S/C7H9F3O2/c1-3-4-5(2)12-6(11)7(8,9)10/h3,5H,1,4H2,2H3 |
| InChIKey | AYIRUBDOOSWFMC-UHFFFAOYSA-N |
| Molecular Weight | 182.142 g/mol |
| SMILES | C=CCC(C)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95142 |