| SpectraBase Spectrum ID |
EHFsEl68VgO |
| Name |
1-(Bromodifluoromethyl)-2,3,5,6-tetrafluoro-4-methylbenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.932232075 u |
| Formula |
C8H3BrF6 |
| InChI |
InChI=1S/C8H3BrF6/c1-2-4(10)6(12)3(8(9,14)15)7(13)5(2)11/h1H3 |
| InChIKey |
JKZSEZRFPDMAFU-UHFFFAOYSA-N |
| Molecular Weight |
293.006 g/mol |
| SMILES |
C1(=C(C(=C(C(=C1F)C(Br)(F)F)F)F)C)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850096 |
