SpectraBase Compound ID | BVbA4FenGX9 |
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InChI | InChI=1S/C9H8BrIO/c10-9(11)8(6-12)7-4-2-1-3-5-7/h1-5,12H,6H2/b9-8+ |
InChIKey | FKGOSQYUFOQHOO-CMDGGOBGSA-N |
Mol Weight | 338.97 g/mol |
Molecular Formula | C9H8BrIO |
Exact Mass | 337.880323 g/mol |
SpectraBase Spectrum ID | 1JfPshFGmdc |
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Name | 1-Bromo-1-iodo-2-phenylpropen-3-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 337.880322877 u |
Formula | C9H8BrIO |
InChI | InChI=1S/C9H8BrIO/c10-9(11)8(6-12)7-4-2-1-3-5-7/h1-5,12H,6H2/b9-8+ |
InChIKey | FKGOSQYUFOQHOO-CMDGGOBGSA-N |
Molecular Weight | 338.970 g/mol |
SMILES | C1(\C(=C\(I)Br)CO)=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.813078 |