| SpectraBase Compound ID | gSozhV1KSt |
|---|---|
| InChI | InChI=1S/C10H7FO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7H,1H3 |
| InChIKey | NKJHCUQCLWBYRE-UHFFFAOYSA-N |
| Mol Weight | 162.16 g/mol |
| Molecular Formula | C10H7FO |
| Exact Mass | 162.048093 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3sTnfWgZceU |
|---|---|
| Name | 4-(3-Fluorophenyl)but-3-yn-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.048093007 u |
| Formula | C10H7FO |
| InChI | InChI=1S/C10H7FO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7H,1H3 |
| InChIKey | NKJHCUQCLWBYRE-UHFFFAOYSA-N |
| Molecular Weight | 162.163 g/mol |
| SMILES | C(#CC1=CC(F)=CC=C1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839569 |