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Isophthalic acid, di(2-ethoxyethyl) ester

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

Isophthalic acid, di(2-ethoxyethyl) ester
SpectraBase Compound ID 9lEbdiZxL79
InChI InChI=1S/C16H22O6/c1-3-19-8-10-21-15(17)13-6-5-7-14(12-13)16(18)22-11-9-20-4-2/h5-7,12H,3-4,8-11H2,1-2H3
InChIKey HRSMYJLYNJFJJP-UHFFFAOYSA-N
Mol Weight 310.35 g/mol
Molecular Formula C16H22O6
Exact Mass 310.141638 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cn9c9Cufab
Name Isophthalic acid, di(2-ethoxyethyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.141638422 u
Formula C16H22O6
InChI InChI=1S/C16H22O6/c1-3-19-8-10-21-15(17)13-6-5-7-14(12-13)16(18)22-11-9-20-4-2/h5-7,12H,3-4,8-11H2,1-2H3
InChIKey HRSMYJLYNJFJJP-UHFFFAOYSA-N
Molecular Weight 310.346 g/mol
SMILES C1(=CC(=CC=C1)C(OCCOCC)=O)C(OCCOCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965099