| SpectraBase Compound ID | K9GB8IHobKY |
|---|---|
| InChI | InChI=1S/C9H9F/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3 |
| InChIKey | VIXHMBLBLJSGIB-UHFFFAOYSA-N |
| Mol Weight | 136.17 g/mol |
| Molecular Formula | C9H9F |
| Exact Mass | 136.068828 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9lTtwck6K7g |
|---|---|
| Name | Benzene, 1-fluoro-4-(1-methylethenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.068828453 u |
| Formula | C9H9F |
| InChI | InChI=1S/C9H9F/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3 |
| InChIKey | VIXHMBLBLJSGIB-UHFFFAOYSA-N |
| Molecular Weight | 136.169 g/mol |
| SMILES | C1=CC(=CC=C1C(C)=C)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845606 |