| SpectraBase Compound ID | 3MSlwOJcqqL |
|---|---|
| InChI | InChI=1S/C7H13FO2/c1-5(6(9)10-4)7(2,3)8/h5H,1-4H3 |
| InChIKey | BNVAESUALWUTPP-UHFFFAOYSA-N |
| Mol Weight | 148.18 g/mol |
| Molecular Formula | C7H13FO2 |
| Exact Mass | 148.089958 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DWfVxWp0p8U |
|---|---|
| Name | Butanoic acid, 3-fluoro-2,3-dimethyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.089957820 u |
| Formula | C7H13FO2 |
| InChI | InChI=1S/C7H13FO2/c1-5(6(9)10-4)7(2,3)8/h5H,1-4H3 |
| InChIKey | BNVAESUALWUTPP-UHFFFAOYSA-N |
| Molecular Weight | 148.177 g/mol |
| SMILES | C(C(=O)OC)(C(F)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96227 |