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3,5-Dicarbethoxybenzoic acid

View entire compound with spectra: 3 NMR, 2 FTIR, and 1 Raman

3,5-Dicarbethoxybenzoic acid
SpectraBase Compound ID KxWpFgFI3tG
InChI InChI=1S/C13H14O6/c1-3-18-12(16)9-5-8(11(14)15)6-10(7-9)13(17)19-4-2/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKey GAVXMTRMXPWCCV-UHFFFAOYSA-N
Mol Weight 266.25 g/mol
Molecular Formula C13H14O6
Exact Mass 266.079038 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IFFtkchfTO7
Name 3,5-Dicarbethoxybenzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.079038165 u
Formula C13H14O6
InChI InChI=1S/C13H14O6/c1-3-18-12(16)9-5-8(11(14)15)6-10(7-9)13(17)19-4-2/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKey GAVXMTRMXPWCCV-UHFFFAOYSA-N
Molecular Weight 266.249 g/mol
SMILES C(OCC)(C1=CC(=CC(=C1)C(=O)OCC)C(=O)O)=O
Spectrum/Structure Validation Score (Raman) 0.969225