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(E)-2-Bromobutyloxychalcone

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(E)-2-Bromobutyloxychalcone
SpectraBase Compound ID KzAj9zJalBG
InChI InChI=1S/C19H19BrO2/c20-14-6-7-15-22-19-11-5-4-10-17(19)12-13-18(21)16-8-2-1-3-9-16/h1-5,8-13H,6-7,14-15H2/b13-12+
InChIKey ZYXFMIIERMWLTR-OUKQBFOZSA-N
Mol Weight 359.26 g/mol
Molecular Formula C19H19BrO2
Exact Mass 358.056843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 32NBg9cZ7mV
Name (E)-2-Bromobutyloxychalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.056842850 u
Formula C19H19BrO2
InChI InChI=1S/C19H19BrO2/c20-14-6-7-15-22-19-11-5-4-10-17(19)12-13-18(21)16-8-2-1-3-9-16/h1-5,8-13H,6-7,14-15H2/b13-12+
InChIKey ZYXFMIIERMWLTR-OUKQBFOZSA-N
Molecular Weight 359.263 g/mol
SMILES C1=CC(=CC=C1)C(\C=C\C1=C(C=CC=C1)OCCCCBr)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878281