| SpectraBase Compound ID | DucF5uXueU6 |
|---|---|
| InChI | InChI=1S/C16H13FO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3 |
| InChIKey | AOINTYAZKYYNGN-UHFFFAOYSA-N |
| Mol Weight | 256.28 g/mol |
| Molecular Formula | C16H13FO2 |
| Exact Mass | 256.089958 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8nOw6oq3L3I |
|---|---|
| Name | 4'-Fluoro-4-methoxychalone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.089957820 u |
| Formula | C16H13FO2 |
| InChI | InChI=1S/C16H13FO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3 |
| InChIKey | AOINTYAZKYYNGN-UHFFFAOYSA-N |
| Molecular Weight | 256.276 g/mol |
| SMILES | C=1C(=CC=C(C1)OC)C=CC(C=1C=CC(=CC1)F)=O |
| Spectrum/Structure Validation Score (Raman) | 0.998091 |