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Sebacic acid, nonyl 3-phenylallyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, nonyl 3-phenylallyl ester
SpectraBase Compound ID JbT8G0O18qG
InChI InChI=1S/C28H44O4/c1-2-3-4-5-8-11-17-24-31-27(29)22-15-9-6-7-10-16-23-28(30)32-25-18-21-26-19-13-12-14-20-26/h12-14,18-21H,2-11,15-17,22-25H2,1H3/b21-18+
InChIKey HVYBMHPGNHEPFL-DYTRJAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSQvDUif2UR
Name Sebacic acid, nonyl 3-phenylallyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.323959893 u
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-2-3-4-5-8-11-17-24-31-27(29)22-15-9-6-7-10-16-23-28(30)32-25-18-21-26-19-13-12-14-20-26/h12-14,18-21H,2-11,15-17,22-25H2,1H3/b21-18+
InChIKey HVYBMHPGNHEPFL-DYTRJAOYSA-N
Molecular Weight 444.656 g/mol
SMILES C(C(OC\C=C\C1=CC=CC=C1)=O)CCCCCCCC(OCCCCCCCCC)=O