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Sebacic acid, octyl 3-phenylallyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, octyl 3-phenylallyl ester
SpectraBase Compound ID LoMViZn6uma
InChI InChI=1S/C27H42O4/c1-2-3-4-5-10-16-23-30-26(28)21-14-8-6-7-9-15-22-27(29)31-24-17-20-25-18-12-11-13-19-25/h11-13,17-20H,2-10,14-16,21-24H2,1H3/b20-17+
InChIKey WRJZOXWOUJGOHP-LVZFUZTISA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dcdj9Drah7n
Name Sebacic acid, octyl 3-phenylallyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-2-3-4-5-10-16-23-30-26(28)21-14-8-6-7-9-15-22-27(29)31-24-17-20-25-18-12-11-13-19-25/h11-13,17-20H,2-10,14-16,21-24H2,1H3/b20-17+
InChIKey WRJZOXWOUJGOHP-LVZFUZTISA-N
Molecular Weight 430.629 g/mol
SMILES C(C(OC\C=C\C1=CC=CC=C1)=O)CCCCCCCC(OCCCCCCCC)=O