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Sebacic acid, pentyl 2-phenylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, pentyl 2-phenylphenyl ester
SpectraBase Compound ID 1UVBR7McWvd
InChI InChI=1S/C27H36O4/c1-2-3-15-22-30-26(28)20-11-6-4-5-7-12-21-27(29)31-25-19-14-13-18-24(25)23-16-9-8-10-17-23/h8-10,13-14,16-19H,2-7,11-12,15,20-22H2,1H3
InChIKey AHLVYHNNJAEULO-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 LoYnC7tcrEi
Name Sebacic acid, pentyl 2-phenylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-2-3-15-22-30-26(28)20-11-6-4-5-7-12-21-27(29)31-25-19-14-13-18-24(25)23-16-9-8-10-17-23/h8-10,13-14,16-19H,2-7,11-12,15,20-22H2,1H3
InChIKey AHLVYHNNJAEULO-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES C(C(OC1=CC=CC=C1C1=CC=CC=C1)=O)CCCCCCCC(OCCCCC)=O