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Sebacic acid, butyl 4-phenylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, butyl 4-phenylphenyl ester
SpectraBase Compound ID 55gkzJYtZta
InChI InChI=1S/C26H34O4/c1-2-3-21-29-25(27)15-11-6-4-5-7-12-16-26(28)30-24-19-17-23(18-20-24)22-13-9-8-10-14-22/h8-10,13-14,17-20H,2-7,11-12,15-16,21H2,1H3
InChIKey WGWXYDOTWRNQDC-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 RbXibef9U5
Name Sebacic acid, butyl 4-phenylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-2-3-21-29-25(27)15-11-6-4-5-7-12-16-26(28)30-24-19-17-23(18-20-24)22-13-9-8-10-14-22/h8-10,13-14,17-20H,2-7,11-12,15-16,21H2,1H3
InChIKey WGWXYDOTWRNQDC-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C(CCCCCC(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CCC(OCCCC)=O