| SpectraBase Compound ID | 4v9P6R9SzDz |
|---|---|
| InChI | InChI=1S/C12H11FO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2 |
| InChIKey | LBTLJACXBCUFEF-UHFFFAOYSA-N |
| Mol Weight | 206.22 g/mol |
| Molecular Formula | C12H11FO2 |
| Exact Mass | 206.074308 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 35oXZjcl3tu |
|---|---|
| Name | 5-(4-Fluorophenyl)-1,3-cyclohexanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.074307755 u |
| Formula | C12H11FO2 |
| InChI | InChI=1S/C12H11FO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2 |
| InChIKey | LBTLJACXBCUFEF-UHFFFAOYSA-N |
| Molecular Weight | 206.216 g/mol |
| SMILES | C1(F)=CC=C(C=C1)C1CC(CC(C1)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.859722 |