| SpectraBase Compound ID | Kx8Faq4rjYk |
|---|---|
| InChI | InChI=1S/C7H13FO/c1-3-5-7(9)6(8)4-2/h6H,3-5H2,1-2H3/t6-/m0/s1 |
| InChIKey | QHFJXGSJLRCBPG-LURJTMIESA-N |
| Mol Weight | 132.18 g/mol |
| Molecular Formula | C7H13FO |
| Exact Mass | 132.095043 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IXMlRnPscUD |
|---|---|
| Name | 3(S)-Fluoro-4-heptanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.095043201 u |
| Formula | C7H13FO |
| InChI | InChI=1S/C7H13FO/c1-3-5-7(9)6(8)4-2/h6H,3-5H2,1-2H3/t6-/m0/s1 |
| InChIKey | QHFJXGSJLRCBPG-LURJTMIESA-N |
| Molecular Weight | 132.178 g/mol |
| SMILES | C(=O)([C@@](F)(CC)[H])CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845916 |