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(2,4,5-Trimethoxybenzylidene)malonic acid, dimethyl ester

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

(2,4,5-Trimethoxybenzylidene)malonic acid, dimethyl ester
SpectraBase Compound ID DkvAgITVM3e
InChI InChI=1S/C15H18O7/c1-18-11-8-13(20-3)12(19-2)7-9(11)6-10(14(16)21-4)15(17)22-5/h6-8H,1-5H3
InChIKey DZVSOZXPPCJUEZ-UHFFFAOYSA-N
Mol Weight 310.3 g/mol
Molecular Formula C15H18O7
Exact Mass 310.105253 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID LpJ8abaszTy
Name (2,4,5-Trimethoxybenzylidene)malonic acid, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.105252913 u
Formula C15H18O7
InChI InChI=1S/C15H18O7/c1-18-11-8-13(20-3)12(19-2)7-9(11)6-10(14(16)21-4)15(17)22-5/h6-8H,1-5H3
InChIKey DZVSOZXPPCJUEZ-UHFFFAOYSA-N
SMILES C1=C(C(=CC(=C1OC)OC)C=C(C(OC)=O)C(OC)=O)OC
Spectrum/Structure Validation Score (Raman) 0.865171