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Sebacic acid, pentyl 4-phenylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, pentyl 4-phenylphenyl ester
SpectraBase Compound ID EOoLZaanjkE
InChI InChI=1S/C27H36O4/c1-2-3-13-22-30-26(28)16-11-6-4-5-7-12-17-27(29)31-25-20-18-24(19-21-25)23-14-9-8-10-15-23/h8-10,14-15,18-21H,2-7,11-13,16-17,22H2,1H3
InChIKey HBXFTFWNBDQPHB-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 EjOn4lcosAX
Name Sebacic acid, pentyl 4-phenylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-2-3-13-22-30-26(28)16-11-6-4-5-7-12-17-27(29)31-25-20-18-24(19-21-25)23-14-9-8-10-15-23/h8-10,14-15,18-21H,2-7,11-13,16-17,22H2,1H3
InChIKey HBXFTFWNBDQPHB-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES C(CCCCCC(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CCC(OCCCCC)=O