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Sebacic acid, 2,5-dimethylphenyl isohexyl ester

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Sebacic acid, 2,5-dimethylphenyl isohexyl ester
SpectraBase Compound ID GagqyjPxDqV
InChI InChI=1S/C24H38O4/c1-19(2)12-11-17-27-23(25)13-9-7-5-6-8-10-14-24(26)28-22-18-20(3)15-16-21(22)4/h15-16,18-19H,5-14,17H2,1-4H3
InChIKey JGSFPIDFEORNCC-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CzYiUhfWxb5
Name Sebacic acid, 2,5-dimethylphenyl isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-19(2)12-11-17-27-23(25)13-9-7-5-6-8-10-14-24(26)28-22-18-20(3)15-16-21(22)4/h15-16,18-19H,5-14,17H2,1-4H3
InChIKey JGSFPIDFEORNCC-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C(CCCCC(OC=1C(C)=CC=C(C)C1)=O)CCCC(OCCCC(C)C)=O