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Glutaric acid, 3,4-dimethylphenyl dodecyl ester

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Glutaric acid, 3,4-dimethylphenyl dodecyl ester
SpectraBase Compound ID EYEEdIxGxIO
InChI InChI=1S/C25H40O4/c1-4-5-6-7-8-9-10-11-12-13-19-28-24(26)15-14-16-25(27)29-23-18-17-21(2)22(3)20-23/h17-18,20H,4-16,19H2,1-3H3
InChIKey XXMPIWLOHTULRJ-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6Ic0kuKpEC
Name Glutaric acid, 3,4-dimethylphenyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-4-5-6-7-8-9-10-11-12-13-19-28-24(26)15-14-16-25(27)29-23-18-17-21(2)22(3)20-23/h17-18,20H,4-16,19H2,1-3H3
InChIKey XXMPIWLOHTULRJ-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES CCCCCCCCCCCCOC(CCCC(OC1=CC=C(C(=C1)C)C)=O)=O