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Sebacic acid, 2,6-dimethoxyphenyl isohexyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,6-dimethoxyphenyl isohexyl ester
SpectraBase Compound ID BpZDRLpD3SZ
InChI InChI=1S/C24H38O6/c1-19(2)13-12-18-29-22(25)16-9-7-5-6-8-10-17-23(26)30-24-20(27-3)14-11-15-21(24)28-4/h11,14-15,19H,5-10,12-13,16-18H2,1-4H3
InChIKey GBCUGJJTZUGPIS-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 CRjluPyU2O2
Name Sebacic acid, 2,6-dimethoxyphenyl isohexyl 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/c1-19(2)13-12-18-29-22(25)16-9-7-5-6-8-10-17-23(26)30-24-20(27-3)14-11-15-21(24)28-4/h11,14-15,19H,5-10,12-13,16-18H2,1-4H3
InChIKey GBCUGJJTZUGPIS-UHFFFAOYSA-N
Molecular Weight 422.562 g/mol
SMILES C(CCCCC(OC1=C(OC)C=CC=C1OC)=O)CCCC(OCCCC(C)C)=O