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3-Iodophthalic acid, bis(2-methoxyethyl) ester

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

3-Iodophthalic acid, bis(2-methoxyethyl) ester
SpectraBase Compound ID JXxKpPua7Dt
InChI InChI=1S/C14H17IO6/c1-18-6-8-20-13(16)10-4-3-5-11(15)12(10)14(17)21-9-7-19-2/h3-5H,6-9H2,1-2H3
InChIKey FVQVAYDDMMYHBM-UHFFFAOYSA-N
Mol Weight 408.19 g/mol
Molecular Formula C14H17IO6
Exact Mass 408.006983 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID A23XOP1xyL4
Name 3-Iodophthalic acid, bis(2-methoxyethyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.006983261 u
Formula C14H17IO6
InChI InChI=1S/C14H17IO6/c1-18-6-8-20-13(16)10-4-3-5-11(15)12(10)14(17)21-9-7-19-2/h3-5H,6-9H2,1-2H3
InChIKey FVQVAYDDMMYHBM-UHFFFAOYSA-N
Molecular Weight 408.188 g/mol
SMILES C=1C=CC(=C(C1C(OCCOC)=O)C(OCCOC)=O)I
Spectrum/Structure Validation Score (Raman) 0.891058