| SpectraBase Compound ID | 4ymVtxwy220 |
|---|---|
| InChI | InChI=1S/C7H4BrF3/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2 |
| InChIKey | SPPLWANVCVTGEQ-UHFFFAOYSA-N |
| Mol Weight | 225.01 g/mol |
| Molecular Formula | C7H4BrF3 |
| Exact Mass | 223.944848 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1tqsIdlTIj2 |
|---|---|
| Name | 2,4,6-Trifluorobenzyl bromide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.944847618 u |
| Formula | C7H4BrF3 |
| InChI | InChI=1S/C7H4BrF3/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2 |
| InChIKey | SPPLWANVCVTGEQ-UHFFFAOYSA-N |
| Molecular Weight | 225.008 g/mol |
| SMILES | C1=C(C=C(C(=C1F)CBr)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856932 |