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Adipic acid, 2,6-dimethoxyphenyl undecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 2,6-dimethoxyphenyl undecyl ester
SpectraBase Compound ID FTeQubXLSCs
InChI InChI=1S/C25H40O6/c1-4-5-6-7-8-9-10-11-14-20-30-23(26)18-12-13-19-24(27)31-25-21(28-2)16-15-17-22(25)29-3/h15-17H,4-14,18-20H2,1-3H3
InChIKey PIPJBISIRPQJBT-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 CjNVTxujeI0
Name Adipic acid, 2,6-dimethoxyphenyl undecyl 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/c1-4-5-6-7-8-9-10-11-14-20-30-23(26)18-12-13-19-24(27)31-25-21(28-2)16-15-17-22(25)29-3/h15-17H,4-14,18-20H2,1-3H3
InChIKey PIPJBISIRPQJBT-UHFFFAOYSA-N
Molecular Weight 436.589 g/mol
SMILES C(CCC(=O)OC1=C(C=CC=C1OC)OC)CC(OCCCCCCCCCCC)=O