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(E)-4-(3',4'-Dimethoxyphenyl)-3-hydroxymethyl-3-buten-2-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(E)-4-(3',4'-Dimethoxyphenyl)-3-hydroxymethyl-3-buten-2-one
SpectraBase Compound ID H1JzrYbZYMe
InChI InChI=1S/C13H16O4/c1-9(15)11(8-14)6-10-4-5-12(16-2)13(7-10)17-3/h4-7,14H,8H2,1-3H3/b11-6+
InChIKey VNIPLPLVPSLKOP-IZZDOVSWSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9YD5tKuvWTo
Name (E)-4-(3',4'-Dimethoxyphenyl)-3-hydroxymethyl-3-buten-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.104858991 u
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-9(15)11(8-14)6-10-4-5-12(16-2)13(7-10)17-3/h4-7,14H,8H2,1-3H3/b11-6+
InChIKey VNIPLPLVPSLKOP-IZZDOVSWSA-N
Molecular Weight 236.267 g/mol
SMILES CC(\C(=C\C=1C=C(C(=CC1)OC)OC)CO)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981193