| SpectraBase Compound ID | 3cFgCd98aNC |
|---|---|
| InChI | InChI=1S/C12H16FNO/c1-3-4-11(14-2)12(15)9-5-7-10(13)8-6-9/h5-8,11,14H,3-4H2,1-2H3 |
| InChIKey | QBFXBDUCRNGHSA-UHFFFAOYSA-N |
| Mol Weight | 209.26 g/mol |
| Molecular Formula | C12H16FNO |
| Exact Mass | 209.121592 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B5QqIunESQZ |
|---|---|
| Name | 4-Fluoropentedrone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.121592301 u |
| Formula | C12H16FNO |
| InChI | InChI=1S/C12H16FNO/c1-3-4-11(14-2)12(15)9-5-7-10(13)8-6-9/h5-8,11,14H,3-4H2,1-2H3 |
| InChIKey | QBFXBDUCRNGHSA-UHFFFAOYSA-N |
| Molecular Weight | 209.264 g/mol |
| SMILES | N(C(C(C=1C=CC(=CC1)F)=O)CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941481 |