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2,5-Dihydroxy-p-benzenediacetic acid, dimethyl ester

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

2,5-Dihydroxy-p-benzenediacetic acid, dimethyl ester
SpectraBase Compound ID JZtuAghTmPr
InChI InChI=1S/C12H14O6/c1-17-11(15)5-7-3-10(14)8(4-9(7)13)6-12(16)18-2/h3-4,13-14H,5-6H2,1-2H3
InChIKey STRMOTZPJWIMQQ-UHFFFAOYSA-N
Mol Weight 254.24 g/mol
Molecular Formula C12H14O6
Exact Mass 254.079038 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 11YA0n7mUnn
Name 2,5-Dihydroxy-p-benzenediacetic acid, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.079038165 u
Formula C12H14O6
InChI InChI=1S/C12H14O6/c1-17-11(15)5-7-3-10(14)8(4-9(7)13)6-12(16)18-2/h3-4,13-14H,5-6H2,1-2H3
InChIKey STRMOTZPJWIMQQ-UHFFFAOYSA-N
Molecular Weight 254.238 g/mol
SMILES OC=1C=C(C(=CC1CC(OC)=O)O)CC(OC)=O
Spectrum/Structure Validation Score (Raman) 0.89875