| SpectraBase Compound ID | AcBd7w0SNYE |
|---|---|
| InChI | InChI=1S/C6H7F3O2/c1-3-4(2)11-5(10)6(7,8)9/h3-4H,1H2,2H3 |
| InChIKey | RHPTZIKNLZAVDC-UHFFFAOYSA-N |
| Mol Weight | 168.12 g/mol |
| Molecular Formula | C6H7F3O2 |
| Exact Mass | 168.039814 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Axd43tfcqe9 |
|---|---|
| Name | 3-Buten-2-ol, trifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.039813952 u |
| Formula | C6H7F3O2 |
| InChI | InChI=1S/C6H7F3O2/c1-3-4(2)11-5(10)6(7,8)9/h3-4H,1H2,2H3 |
| InChIKey | RHPTZIKNLZAVDC-UHFFFAOYSA-N |
| Molecular Weight | 168.115 g/mol |
| SMILES | C=CC(C)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925592 |