| SpectraBase Compound ID | IC21oOYc6Ak |
|---|---|
| InChI | InChI=1S/C11H11FO3/c1-7(2)15-11(14)10(13)8-5-3-4-6-9(8)12/h3-7H,1-2H3 |
| InChIKey | YVVPDMXHXKLGCQ-UHFFFAOYSA-N |
| Mol Weight | 210.2 g/mol |
| Molecular Formula | C11H11FO3 |
| Exact Mass | 210.069222 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Anx4aJcw3wr |
|---|---|
| Name | iso-Propyl-2-(2-fluorophenyl)-2-oxoacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.069222374 u |
| Formula | C11H11FO3 |
| InChI | InChI=1S/C11H11FO3/c1-7(2)15-11(14)10(13)8-5-3-4-6-9(8)12/h3-7H,1-2H3 |
| InChIKey | YVVPDMXHXKLGCQ-UHFFFAOYSA-N |
| Molecular Weight | 210.204 g/mol |
| SMILES | C(OC(C(C=1C(=CC=CC1)F)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954247 |