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(E)-1-(2,4,5-Trimethoxyphenyl)but-1-ene

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

(E)-1-(2,4,5-Trimethoxyphenyl)but-1-ene
SpectraBase Compound ID DmEnneB6ZSm
InChI InChI=1S/C13H18O3/c1-5-6-7-10-8-12(15-3)13(16-4)9-11(10)14-2/h6-9H,5H2,1-4H3/b7-6+
InChIKey RWYFPZNSBWWHEI-VOTSOKGWSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CBmy5AO7VTW
Name (E)-1-(2,4,5-Trimethoxyphenyl)but-1-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.125594437 u
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-5-6-7-10-8-12(15-3)13(16-4)9-11(10)14-2/h6-9H,5H2,1-4H3/b7-6+
InChIKey RWYFPZNSBWWHEI-VOTSOKGWSA-N
Molecular Weight 222.284 g/mol
SMILES COC1=CC(OC)=C(OC)C=C1\C=C\CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870102