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Sebacic acid, 3-phenylallyl tridecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3-phenylallyl tridecyl ester
SpectraBase Compound ID IQTniUYoQq6
InChI InChI=1S/C32H52O4/c1-2-3-4-5-6-7-8-9-12-15-21-28-35-31(33)26-19-13-10-11-14-20-27-32(34)36-29-22-25-30-23-17-16-18-24-30/h16-18,22-25H,2-15,19-21,26-29H2,1H3/b25-22+
InChIKey PQASPKZAHHNYAZ-YYDJUVGSSA-N
Mol Weight 500.8 g/mol
Molecular Formula C32H52O4
Exact Mass 500.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82RKQYmwtX
Name Sebacic acid, 3-phenylallyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.386560150 u
Formula C32H52O4
InChI InChI=1S/C32H52O4/c1-2-3-4-5-6-7-8-9-12-15-21-28-35-31(33)26-19-13-10-11-14-20-27-32(34)36-29-22-25-30-23-17-16-18-24-30/h16-18,22-25H,2-15,19-21,26-29H2,1H3/b25-22+
InChIKey PQASPKZAHHNYAZ-YYDJUVGSSA-N
Molecular Weight 500.764 g/mol
SMILES C(C(OC\C=C\C1=CC=CC=C1)=O)CCCCCCCC(OCCCCCCCCCCCCC)=O