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Trans-4-butoxy-4'-methoxychalcone

View entire compound with spectra: 1 FTIR

Trans-4-butoxy-4'-methoxychalcone
SpectraBase Compound ID IELyk7WbQcf
InChI InChI=1S/C20H22O3/c1-3-4-15-23-19-10-5-16(6-11-19)7-14-20(21)17-8-12-18(22-2)13-9-17/h5-14H,3-4,15H2,1-2H3/b14-7+
InChIKey HVEROAQVZPQELQ-VGOFMYFVSA-N
Mol Weight 310.39 g/mol
Molecular Formula C20H22O3
Exact Mass 310.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GNAz3rS7zXm
Name Trans-4-butoxy-4'-methoxychalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.156894565 u
Formula C20H22O3
InChI InChI=1S/C20H22O3/c1-3-4-15-23-19-10-5-16(6-11-19)7-14-20(21)17-8-12-18(22-2)13-9-17/h5-14H,3-4,15H2,1-2H3/b14-7+
InChIKey HVEROAQVZPQELQ-VGOFMYFVSA-N
Molecular Weight 310.393 g/mol
SMILES C1(=CC=C(C=C1)OC)C(\C=C\C1=CC=C(C=C1)OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936764