| SpectraBase Compound ID | 2GLeodzVhjE |
|---|---|
| InChI | InChI=1S/C11H11FO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h2,5-8H,1,3-4H2 |
| InChIKey | IAUOTWNIAKGHEF-UHFFFAOYSA-N |
| Mol Weight | 178.21 g/mol |
| Molecular Formula | C11H11FO |
| Exact Mass | 178.079393 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L6yPcmOW2Uu |
|---|---|
| Name | 1-(4-Fluorophenyl)pent-4-en-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.079393136 u |
| Formula | C11H11FO |
| InChI | InChI=1S/C11H11FO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h2,5-8H,1,3-4H2 |
| InChIKey | IAUOTWNIAKGHEF-UHFFFAOYSA-N |
| Molecular Weight | 178.206 g/mol |
| SMILES | C(C=1C=CC(=CC1)F)(=O)CCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94822 |