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Sebacic acid, di(2,3-dimethylphenyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(2,3-dimethylphenyl) ester
SpectraBase Compound ID 5KW7SKQTau2
InChI InChI=1S/C26H34O4/c1-19-13-11-15-23(21(19)3)29-25(27)17-9-7-5-6-8-10-18-26(28)30-24-16-12-14-20(2)22(24)4/h11-16H,5-10,17-18H2,1-4H3
InChIKey NSUYDWSSPHPGSL-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4dbWiXW74hf
Name Sebacic acid, di(2,3-dimethylphenyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-19-13-11-15-23(21(19)3)29-25(27)17-9-7-5-6-8-10-18-26(28)30-24-16-12-14-20(2)22(24)4/h11-16H,5-10,17-18H2,1-4H3
InChIKey NSUYDWSSPHPGSL-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C(CCCCC(OC1=C(C(C)=CC=C1)C)=O)CCCC(OC1=C(C(C)=CC=C1)C)=O