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Glutaric acid, 4-biphenyl decyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 4-biphenyl decyl ester
SpectraBase Compound ID I2LwfVYCmEu
InChI InChI=1S/C27H36O4/c1-2-3-4-5-6-7-8-12-22-30-26(28)16-13-17-27(29)31-25-20-18-24(19-21-25)23-14-10-9-11-15-23/h9-11,14-15,18-21H,2-8,12-13,16-17,22H2,1H3
InChIKey UWRMRWBZJNAZHV-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 5FSTgE6ThEo
Name Glutaric acid, 4-biphenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-2-3-4-5-6-7-8-12-22-30-26(28)16-13-17-27(29)31-25-20-18-24(19-21-25)23-14-10-9-11-15-23/h9-11,14-15,18-21H,2-8,12-13,16-17,22H2,1H3
InChIKey UWRMRWBZJNAZHV-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES C1=CC=CC(=C1)C1=CC=C(C=C1)OC(CCCC(OCCCCCCCCCC)=O)=O