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Trans-4-bromo-4'-methoxychalcone

View entire compound with spectra: 2 NMR, and 1 FTIR

Trans-4-bromo-4'-methoxychalcone
SpectraBase Compound ID o7LUUoypA5
InChI InChI=1S/C16H13BrO2/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11H,1H3/b11-4+
InChIKey DDKSEIMPHBCIKS-NYYWCZLTSA-N
Mol Weight 317.18 g/mol
Molecular Formula C16H13BrO2
Exact Mass 316.009893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1scryf0Vku2
Name Trans-4-bromo-4'-methoxychalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.009892657 u
Formula C16H13BrO2
InChI InChI=1S/C16H13BrO2/c1-19-15-9-5-13(6-10-15)16(18)11-4-12-2-7-14(17)8-3-12/h2-11H,1H3/b11-4+
InChIKey DDKSEIMPHBCIKS-NYYWCZLTSA-N
Molecular Weight 317.182 g/mol
SMILES C1(=CC=C(C=C1)OC)C(\C=C\C1=CC=C(C=C1)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853353