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Sebacic acid, 2-ethylphenyl isohexyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-ethylphenyl isohexyl ester
SpectraBase Compound ID Hx9xfimvXbK
InChI InChI=1S/C24H38O4/c1-4-21-15-11-12-16-22(21)28-24(26)18-10-8-6-5-7-9-17-23(25)27-19-13-14-20(2)3/h11-12,15-16,20H,4-10,13-14,17-19H2,1-3H3
InChIKey HDQOAXBXTVMVSD-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 18lAqAnn8lt
Name Sebacic acid, 2-ethylphenyl 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/c1-4-21-15-11-12-16-22(21)28-24(26)18-10-8-6-5-7-9-17-23(25)27-19-13-14-20(2)3/h11-12,15-16,20H,4-10,13-14,17-19H2,1-3H3
InChIKey HDQOAXBXTVMVSD-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C(C(OC=1C(CC)=CC=CC1)=O)CCCCCCCC(OCCCC(C)C)=O