| SpectraBase Compound ID | 3MIRjHnV5cW |
|---|---|
| InChI | InChI=1S/C9H8BrF3/c10-5-4-7-2-1-3-8(6-7)9(11,12)13/h1-3,6H,4-5H2 |
| InChIKey | AZLYAPKPZBXCGX-UHFFFAOYSA-N |
| Mol Weight | 253.06 g/mol |
| Molecular Formula | C9H8BrF3 |
| Exact Mass | 251.976148 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JqTrbb0IHq7 |
|---|---|
| Name | 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.976147747 u |
| Formula | C9H8BrF3 |
| InChI | InChI=1S/C9H8BrF3/c10-5-4-7-2-1-3-8(6-7)9(11,12)13/h1-3,6H,4-5H2 |
| InChIKey | AZLYAPKPZBXCGX-UHFFFAOYSA-N |
| Molecular Weight | 253.062 g/mol |
| SMILES | C(F)(F)(F)C1=CC(=CC=C1)CCBr |
| Spectrum/Structure Validation Score (Raman) | 0.98388 |