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Glutaric acid, 2-biphenyl decyl ester
SpectraBase Compound ID ChJiqVSJAGC
InChI InChI=1S/C27H36O4/c1-2-3-4-5-6-7-8-14-22-30-26(28)20-15-21-27(29)31-25-19-13-12-18-24(25)23-16-10-9-11-17-23/h9-13,16-19H,2-8,14-15,20-22H2,1H3
InChIKey AGNCTWZYXVCDJW-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 5ikjMX5wN6x
Name Glutaric acid, 2-biphenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-2-3-4-5-6-7-8-14-22-30-26(28)20-15-21-27(29)31-25-19-13-12-18-24(25)23-16-10-9-11-17-23/h9-13,16-19H,2-8,14-15,20-22H2,1H3
InChIKey AGNCTWZYXVCDJW-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES CCCCCCCCCCOC(CCCC(OC1=CC=CC=C1C1=CC=CC=C1)=O)=O