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(E)-3-Bromobutyloxychalcone

View entire compound with spectra: 1 NMR, and 1 FTIR

(E)-3-Bromobutyloxychalcone
SpectraBase Compound ID 2gvHegqjrx5
InChI InChI=1S/C19H19BrO2/c20-13-4-5-14-22-18-10-6-7-16(15-18)11-12-19(21)17-8-2-1-3-9-17/h1-3,6-12,15H,4-5,13-14H2/b12-11+
InChIKey YVPMGVWHSZNJNP-VAWYXSNFSA-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 2HO9Gzh5B02
Name (E)-3-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/c20-13-4-5-14-22-18-10-6-7-16(15-18)11-12-19(21)17-8-2-1-3-9-17/h1-3,6-12,15H,4-5,13-14H2/b12-11+
InChIKey YVPMGVWHSZNJNP-VAWYXSNFSA-N
Molecular Weight 359.263 g/mol
SMILES C1=CC(=CC=C1)C(\C=C\C1=CC(=CC=C1)OCCCCBr)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859164