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Sebacic acid, 2,6-dimethoxyphenyl heptyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,6-dimethoxyphenyl heptyl ester
SpectraBase Compound ID 8Pu6gS3d6xF
InChI InChI=1S/C25H40O6/c1-4-5-6-11-14-20-30-23(26)18-12-9-7-8-10-13-19-24(27)31-25-21(28-2)16-15-17-22(25)29-3/h15-17H,4-14,18-20H2,1-3H3
InChIKey GSBHLIQGWQDJKJ-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C25H40O6
Exact Mass 436.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BV6wvLkwvil
Name Sebacic acid, 2,6-dimethoxyphenyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.282489002 u
Formula C25H40O6
InChI InChI=1S/C25H40O6/c1-4-5-6-11-14-20-30-23(26)18-12-9-7-8-10-13-19-24(27)31-25-21(28-2)16-15-17-22(25)29-3/h15-17H,4-14,18-20H2,1-3H3
InChIKey GSBHLIQGWQDJKJ-UHFFFAOYSA-N
Molecular Weight 436.589 g/mol
SMILES C(CCCCC(OC1=C(OC)C=CC=C1OC)=O)CCCC(OCCCCCCC)=O