| SpectraBase Compound ID | JJTTlqQXlml |
|---|---|
| InChI | InChI=1S/C12H15FO/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7H,8H2,1-3H3 |
| InChIKey | MUQDKUWJRXKDCB-UHFFFAOYSA-N |
| Mol Weight | 194.25 g/mol |
| Molecular Formula | C12H15FO |
| Exact Mass | 194.110693 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3Dqj4kPbUXk |
|---|---|
| Name | 1-(4-(Tert-butyl)phenyl)-2-fluoroethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.110693265 u |
| Formula | C12H15FO |
| InChI | InChI=1S/C12H15FO/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7H,8H2,1-3H3 |
| InChIKey | MUQDKUWJRXKDCB-UHFFFAOYSA-N |
| Molecular Weight | 194.249 g/mol |
| SMILES | C(C)(C1=CC=C(C=C1)C(CF)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905184 |