| SpectraBase Compound ID | BVGi7VS5mi6 |
|---|---|
| InChI | InChI=1S/C12H15F/c1-9(2)8-10(3)11-4-6-12(13)7-5-11/h4-7,10H,1,8H2,2-3H3 |
| InChIKey | BFXFDXICUZAQHI-UHFFFAOYSA-N |
| Mol Weight | 178.25 g/mol |
| Molecular Formula | C12H15F |
| Exact Mass | 178.115779 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AAN64eEORB5 |
|---|---|
| Name | Benzene, 1-(1,3-dimethyl-3-butenyl)-4-fluoro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.115778646 u |
| Formula | C12H15F |
| InChI | InChI=1S/C12H15F/c1-9(2)8-10(3)11-4-6-12(13)7-5-11/h4-7,10H,1,8H2,2-3H3 |
| InChIKey | BFXFDXICUZAQHI-UHFFFAOYSA-N |
| Molecular Weight | 178.250 g/mol |
| SMILES | C(C(C)C1=CC=C(C=C1)F)C(C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943424 |