| SpectraBase Compound ID | EbHr69rtNCH |
|---|---|
| InChI | InChI=1S/C10H9FO/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8H,5-6H2 |
| InChIKey | AHEDMEVWTIFKFX-UHFFFAOYSA-N |
| Mol Weight | 164.18 g/mol |
| Molecular Formula | C10H9FO |
| Exact Mass | 164.063743 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jx9XcLRvzSe |
|---|---|
| Name | 3-(4'-Fluorophenyl)cyclobutanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.063743072 u |
| Formula | C10H9FO |
| InChI | InChI=1S/C10H9FO/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8H,5-6H2 |
| InChIKey | AHEDMEVWTIFKFX-UHFFFAOYSA-N |
| Molecular Weight | 164.179 g/mol |
| SMILES | C1(C=2C=CC(=CC2)F)CC(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900269 |