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Sebacic acid, decyl 3-phenylallyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 3-phenylallyl ester
SpectraBase Compound ID 1UUZI53tSXx
InChI InChI=1S/C29H46O4/c1-2-3-4-5-6-9-12-18-25-32-28(30)23-16-10-7-8-11-17-24-29(31)33-26-19-22-27-20-14-13-15-21-27/h13-15,19-22H,2-12,16-18,23-26H2,1H3/b22-19+
InChIKey AGHOMVBRWVWVJI-ZBJSNUHESA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H46O4
Exact Mass 458.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cvb0ZQIJioB
Name Sebacic acid, decyl 3-phenylallyl ester
Comments Computed using HOSE algorithm
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Exact Mass 458.339609957 u
Formula C29H46O4
InChI InChI=1S/C29H46O4/c1-2-3-4-5-6-9-12-18-25-32-28(30)23-16-10-7-8-11-17-24-29(31)33-26-19-22-27-20-14-13-15-21-27/h13-15,19-22H,2-12,16-18,23-26H2,1H3/b22-19+
InChIKey AGHOMVBRWVWVJI-ZBJSNUHESA-N
Molecular Weight 458.683 g/mol
SMILES C(C(OC\C=C\C1=CC=CC=C1)=O)CCCCCCCC(OCCCCCCCCCC)=O