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Sebacic acid, 2,6-dimethoxyphenyl hexyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,6-dimethoxyphenyl hexyl ester
SpectraBase Compound ID CEXyVUA3mip
InChI InChI=1S/C24H38O6/c1-4-5-6-13-19-29-22(25)17-11-9-7-8-10-12-18-23(26)30-24-20(27-2)15-14-16-21(24)28-3/h14-16H,4-13,17-19H2,1-3H3
InChIKey AXBIZMPXDYPLPE-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C24H38O6
Exact Mass 422.266839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JkKQDLPA9Ll
Name Sebacic acid, 2,6-dimethoxyphenyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.266838938 u
Formula C24H38O6
InChI InChI=1S/C24H38O6/c1-4-5-6-13-19-29-22(25)17-11-9-7-8-10-12-18-23(26)30-24-20(27-2)15-14-16-21(24)28-3/h14-16H,4-13,17-19H2,1-3H3
InChIKey AXBIZMPXDYPLPE-UHFFFAOYSA-N
Molecular Weight 422.562 g/mol
SMILES C(CCCCC(OC1=C(OC)C=CC=C1OC)=O)CCCC(OCCCCCC)=O