| SpectraBase Compound ID | I4nAMpBubY7 |
|---|---|
| InChI | InChI=1S/C8H5BrClF3O/c9-4-5-1-2-7(6(10)3-5)14-8(11,12)13/h1-3H,4H2 |
| InChIKey | YTXRMMJPEBWDPE-UHFFFAOYSA-N |
| Mol Weight | 289.48 g/mol |
| Molecular Formula | C8H5BrClF3O |
| Exact Mass | 287.91644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L7fXHvQ6PKY |
|---|---|
| Name | 3-Chloro-4-(trifluoromethoxy)benzyl bromide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.916439969 u |
| Formula | C8H5BrClF3O |
| InChI | InChI=1S/C8H5BrClF3O/c9-4-5-1-2-7(6(10)3-5)14-8(11,12)13/h1-3H,4H2 |
| InChIKey | YTXRMMJPEBWDPE-UHFFFAOYSA-N |
| Molecular Weight | 289.479 g/mol |
| SMILES | C1(OC(F)(F)F)=CC=C(CBr)C=C1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909643 |