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3-(4-Hydroxy-3-methoxybenzylidene)pentene-2,4-dione

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

3-(4-Hydroxy-3-methoxybenzylidene)pentene-2,4-dione
SpectraBase Compound ID 3dBkB7qFBEh
InChI InChI=1S/C13H14O4/c1-8(14)11(9(2)15)6-10-4-5-12(16)13(7-10)17-3/h4-7,16H,1-3H3
InChIKey XMAWAPAJKQHUHU-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3aAaql3zr5P
Name 3-(4-Hydroxy-3-methoxybenzylidene)pentene-2,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.089208927 u
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-8(14)11(9(2)15)6-10-4-5-12(16)13(7-10)17-3/h4-7,16H,1-3H3
InChIKey XMAWAPAJKQHUHU-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES C=1C(C=C(C(=O)C)C(=O)C)=CC(=C(C1)O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951126