SpectraBase Compound ID | 4jAkn49MdQQ |
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InChI | InChI=1S/C8H5BrF2O/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-3H,1H3 |
InChIKey | TUDMLHCSUOCGMM-UHFFFAOYSA-N |
Mol Weight | 235.03 g/mol |
Molecular Formula | C8H5BrF2O |
Exact Mass | 233.949184 g/mol |
SpectraBase Spectrum ID | 4g9NsesOrwL |
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Name | 1-(4-Bromo-2,6-difluorophenyl)ethanone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 233.949184106 u |
Formula | C8H5BrF2O |
InChI | InChI=1S/C8H5BrF2O/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-3H,1H3 |
InChIKey | TUDMLHCSUOCGMM-UHFFFAOYSA-N |
Molecular Weight | 235.028 g/mol |
SMILES | C1(F)=C(C(=CC(=C1)Br)F)C(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924157 |