| SpectraBase Compound ID | 7X8lCHzaP6x |
|---|---|
| InChI | InChI=1S/C7H11F3O2/c1-3-5(2)4-12-6(11)7(8,9)10/h5H,3-4H2,1-2H3 |
| InChIKey | IIKVUZNVOYQVOL-UHFFFAOYSA-N |
| Mol Weight | 184.16 g/mol |
| Molecular Formula | C7H11F3O2 |
| Exact Mass | 184.071114 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2kESLcAafLq |
|---|---|
| Name | 1-Butanol, 2-methyl-, trifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.071114081 u |
| Formula | C7H11F3O2 |
| InChI | InChI=1S/C7H11F3O2/c1-3-5(2)4-12-6(11)7(8,9)10/h5H,3-4H2,1-2H3 |
| InChIKey | IIKVUZNVOYQVOL-UHFFFAOYSA-N |
| Molecular Weight | 184.158 g/mol |
| SMILES | CCC(COC(C(F)(F)F)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967141 |