![1-Bromo-4-[1-(trifluoromethyl)vinyl]benzene](/api/spectrum/8cReO3hLQSZ/structure.png?h=300&w=458 "1-Bromo-4-[1-(trifluoromethyl)vinyl]benzene")
| SpectraBase Compound ID | 1REK0P3hPnm |
|---|---|
| InChI | InChI=1S/C9H6BrF3/c1-6(9(11,12)13)7-2-4-8(10)5-3-7/h2-5H,1H2 |
| InChIKey | DEAILPKMQOFCRE-UHFFFAOYSA-N |
| Mol Weight | 251.05 g/mol |
| Molecular Formula | C9H6BrF3 |
| Exact Mass | 249.960498 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8cReO3hLQSZ |
|---|---|
| Name | 1-Bromo-4-[1-(trifluoromethyl)vinyl]benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.960497682 u |
| Formula | C9H6BrF3 |
| InChI | InChI=1S/C9H6BrF3/c1-6(9(11,12)13)7-2-4-8(10)5-3-7/h2-5H,1H2 |
| InChIKey | DEAILPKMQOFCRE-UHFFFAOYSA-N |
| Molecular Weight | 251.046 g/mol |
| SMILES | C(C(C=1C=CC(=CC1)Br)=C)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841508 |