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Sebacic acid, isobutyl 4-phenylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, isobutyl 4-phenylphenyl ester
SpectraBase Compound ID 5kMhS3c8fUF
InChI InChI=1S/C26H34O4/c1-21(2)20-29-25(27)14-10-5-3-4-6-11-15-26(28)30-24-18-16-23(17-19-24)22-12-8-7-9-13-22/h7-9,12-13,16-19,21H,3-6,10-11,14-15,20H2,1-2H3
InChIKey WTPSPOGMEPKVAN-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 9JVhpWJVY4e
Name Sebacic acid, isobutyl 4-phenylphenyl 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/c1-21(2)20-29-25(27)14-10-5-3-4-6-11-15-26(28)30-24-18-16-23(17-19-24)22-12-8-7-9-13-22/h7-9,12-13,16-19,21H,3-6,10-11,14-15,20H2,1-2H3
InChIKey WTPSPOGMEPKVAN-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C(CCCCCC(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CCC(OCC(C)C)=O