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2,6-Dimethylterephthalic acid, 1-methyl ester

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

2,6-Dimethylterephthalic acid, 1-methyl ester
SpectraBase Compound ID 1CqmsbS8Z8V
InChI InChI=1S/C11H12O4/c1-6-4-8(10(12)13)5-7(2)9(6)11(14)15-3/h4-5H,1-3H3,(H,12,13)
InChIKey SXAZEUCRZLPRRY-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KYBfXETjWMi
Name 2,6-Dimethylterephthalic acid, 1-methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.073558862 u
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-6-4-8(10(12)13)5-7(2)9(6)11(14)15-3/h4-5H,1-3H3,(H,12,13)
InChIKey SXAZEUCRZLPRRY-UHFFFAOYSA-N
Molecular Weight 208.213 g/mol
SMILES OC(=O)C=1C=C(C)C(C(=O)OC)=C(C)C1
Spectrum/Structure Validation Score (Raman) 0.964577