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Sebacic acid, heptyl 3-phenylallyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, heptyl 3-phenylallyl ester
SpectraBase Compound ID AEw1CO8ZxFR
InChI InChI=1S/C26H40O4/c1-2-3-4-9-15-22-29-25(27)20-13-7-5-6-8-14-21-26(28)30-23-16-19-24-17-11-10-12-18-24/h10-12,16-19H,2-9,13-15,20-23H2,1H3/b19-16+
InChIKey SZZFTEMAEOTPFR-KNTRCKAVSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 52Ede3uubpq
Name Sebacic acid, heptyl 3-phenylallyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-2-3-4-9-15-22-29-25(27)20-13-7-5-6-8-14-21-26(28)30-23-16-19-24-17-11-10-12-18-24/h10-12,16-19H,2-9,13-15,20-23H2,1H3/b19-16+
InChIKey SZZFTEMAEOTPFR-KNTRCKAVSA-N
Molecular Weight 416.602 g/mol
SMILES C(C(OC\C=C\C1=CC=CC=C1)=O)CCCCCCCC(OCCCCCCC)=O