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Sebacic acid, ethyl 4-(2-phenylpropyl-2)-phenyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Sebacic acid, ethyl 4-(2-phenylpropyl-2)-phenyl ester
SpectraBase Compound ID HSBWcetPbYn
InChI InChI=1S/C27H36O4/c1-4-30-25(28)16-12-7-5-6-8-13-17-26(29)31-24-20-18-23(19-21-24)27(2,3)22-14-10-9-11-15-22/h9-11,14-15,18-21H,4-8,12-13,16-17H2,1-3H3
InChIKey QHPZNIPVUYSUMW-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vAIeGRcWb8
Name Sebacic acid, ethyl 4-(2-phenylpropyl-2)-phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-4-30-25(28)16-12-7-5-6-8-13-17-26(29)31-24-20-18-23(19-21-24)27(2,3)22-14-10-9-11-15-22/h9-11,14-15,18-21H,4-8,12-13,16-17H2,1-3H3
InChIKey QHPZNIPVUYSUMW-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES C(CCCCCC(OC1=CC=C(C(C2=CC=CC=C2)(C)C)C=C1)=O)CCC(OCC)=O