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Sebacic acid, heptyl 4-phenylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, heptyl 4-phenylphenyl ester
SpectraBase Compound ID 2b1VklIaeib
InChI InChI=1S/C29H40O4/c1-2-3-4-9-15-24-32-28(30)18-13-7-5-6-8-14-19-29(31)33-27-22-20-26(21-23-27)25-16-11-10-12-17-25/h10-12,16-17,20-23H,2-9,13-15,18-19,24H2,1H3
InChIKey CDCAITXONYHZSF-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C29H40O4
Exact Mass 452.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jp2CRL17Oob
Name Sebacic acid, heptyl 4-phenylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.292659764 u
Formula C29H40O4
InChI InChI=1S/C29H40O4/c1-2-3-4-9-15-24-32-28(30)18-13-7-5-6-8-14-19-29(31)33-27-22-20-26(21-23-27)25-16-11-10-12-17-25/h10-12,16-17,20-23H,2-9,13-15,18-19,24H2,1H3
InChIKey CDCAITXONYHZSF-UHFFFAOYSA-N
Molecular Weight 452.635 g/mol
SMILES C(CCCCCC(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CCC(OCCCCCCC)=O