| SpectraBase Compound ID | CL31EAgqvxw |
|---|---|
| InChI | InChI=1S/C7H11FO4/c1-11-6(9)4-3-5(8)7(10)12-2/h5H,3-4H2,1-2H3 |
| InChIKey | PUCKJKGHEKWARP-UHFFFAOYSA-N |
| Mol Weight | 178.16 g/mol |
| Molecular Formula | C7H11FO4 |
| Exact Mass | 178.064137 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3FLqyJjNusN |
|---|---|
| Name | Dimethyl 2-fluoropentanedioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.064136993 u |
| Formula | C7H11FO4 |
| InChI | InChI=1S/C7H11FO4/c1-11-6(9)4-3-5(8)7(10)12-2/h5H,3-4H2,1-2H3 |
| InChIKey | PUCKJKGHEKWARP-UHFFFAOYSA-N |
| Molecular Weight | 178.159 g/mol |
| SMILES | C(C(CCC(=O)OC)F)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874808 |