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Isophthalic acid, 2,6-dimethoxyphenyl pentyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2,6-dimethoxyphenyl pentyl ester
SpectraBase Compound ID Ls9EBgaNDJD
InChI InChI=1S/C21H24O6/c1-4-5-6-13-26-20(22)15-9-7-10-16(14-15)21(23)27-19-17(24-2)11-8-12-18(19)25-3/h7-12,14H,4-6,13H2,1-3H3
InChIKey ZPQCBSMKYCKPLM-UHFFFAOYSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8BfcHPW2X5p
Name Isophthalic acid, 2,6-dimethoxyphenyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.157288487 u
Formula C21H24O6
InChI InChI=1S/C21H24O6/c1-4-5-6-13-26-20(22)15-9-7-10-16(14-15)21(23)27-19-17(24-2)11-8-12-18(19)25-3/h7-12,14H,4-6,13H2,1-3H3
InChIKey ZPQCBSMKYCKPLM-UHFFFAOYSA-N
Molecular Weight 372.417 g/mol
SMILES CCCCCOC(C=1C=C(C(OC2=C(C=CC=C2OC)OC)=O)C=CC1)=O