| SpectraBase Compound ID | COPtta1HYpu |
|---|---|
| InChI | InChI=1S/C8H15FO/c1-7(9)5-3-4-6-8(2)10/h7H,3-6H2,1-2H3 |
| InChIKey | HGJGEESLXXLDRG-UHFFFAOYSA-N |
| Mol Weight | 146.21 g/mol |
| Molecular Formula | C8H15FO |
| Exact Mass | 146.110693 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BK8a5PIhYwR |
|---|---|
| Name | 7-Fluorpoctane-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.110693265 u |
| Formula | C8H15FO |
| InChI | InChI=1S/C8H15FO/c1-7(9)5-3-4-6-8(2)10/h7H,3-6H2,1-2H3 |
| InChIKey | HGJGEESLXXLDRG-UHFFFAOYSA-N |
| Molecular Weight | 146.205 g/mol |
| SMILES | C(=O)(CCCCC(F)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948471 |