SpectraBase Compound ID | 7dxSPTt3fZ8 |
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InChI | InChI=1S/C7H3Br2FO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H |
InChIKey | UZLJTDXCWOCFJP-UHFFFAOYSA-N |
Mol Weight | 281.91 g/mol |
Molecular Formula | C7H3Br2FO |
Exact Mass | 279.853469 g/mol |
SpectraBase Spectrum ID | LvFIaZbNwK5 |
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Name | 3,5-Dibromo-2-fluorobenzaldehyde |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 279.853468879 u |
Formula | C7H3Br2FO |
InChI | InChI=1S/C7H3Br2FO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H |
InChIKey | UZLJTDXCWOCFJP-UHFFFAOYSA-N |
Molecular Weight | 281.906 g/mol |
SMILES | C1(F)=C(C=C(C=C1C=O)Br)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924151 |