| SpectraBase Compound ID | DtSQUf3YwMV |
|---|---|
| InChI | InChI=1S/C7H7F5O2/c1-3-4(2)14-5(13)6(8,9)7(10,11)12/h3-4H,1H2,2H3 |
| InChIKey | LICUIFILUIGFCR-UHFFFAOYSA-N |
| Mol Weight | 218.12 g/mol |
| Molecular Formula | C7H7F5O2 |
| Exact Mass | 218.03662 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H7CRc0JHqPN |
|---|---|
| Name | 3-Buten-2-ol, pentafluoropropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.036620278 u |
| Formula | C7H7F5O2 |
| InChI | InChI=1S/C7H7F5O2/c1-3-4(2)14-5(13)6(8,9)7(10,11)12/h3-4H,1H2,2H3 |
| InChIKey | LICUIFILUIGFCR-UHFFFAOYSA-N |
| Molecular Weight | 218.123 g/mol |
| SMILES | C=CC(C)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97706 |