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Sebacic acid, 2,3-dimethylphenyl isohexyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,3-dimethylphenyl isohexyl ester
SpectraBase Compound ID 5vUpGdqCNpL
InChI InChI=1S/C24H38O4/c1-19(2)13-12-18-27-23(25)16-9-7-5-6-8-10-17-24(26)28-22-15-11-14-20(3)21(22)4/h11,14-15,19H,5-10,12-13,16-18H2,1-4H3
InChIKey VWNZORUYDJFEKG-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 Jmrdf6fRSJz
Name Sebacic acid, 2,3-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)13-12-18-27-23(25)16-9-7-5-6-8-10-17-24(26)28-22-15-11-14-20(3)21(22)4/h11,14-15,19H,5-10,12-13,16-18H2,1-4H3
InChIKey VWNZORUYDJFEKG-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C(CCCCC(OC1=C(C(C)=CC=C1)C)=O)CCCC(OCCCC(C)C)=O