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Glutaric acid, 2-biphenyl dodecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-biphenyl dodecyl ester
SpectraBase Compound ID F58bHWgvUkO
InChI InChI=1S/C29H40O4/c1-2-3-4-5-6-7-8-9-10-16-24-32-28(30)22-17-23-29(31)33-27-21-15-14-20-26(27)25-18-12-11-13-19-25/h11-15,18-21H,2-10,16-17,22-24H2,1H3
InChIKey NYNJQAAAHMMATE-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C29H40O4
Exact Mass 452.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 45UlrrcQaLL
Name Glutaric acid, 2-biphenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.292659764 u
Formula C29H40O4
InChI InChI=1S/C29H40O4/c1-2-3-4-5-6-7-8-9-10-16-24-32-28(30)22-17-23-29(31)33-27-21-15-14-20-26(27)25-18-12-11-13-19-25/h11-15,18-21H,2-10,16-17,22-24H2,1H3
InChIKey NYNJQAAAHMMATE-UHFFFAOYSA-N
Molecular Weight 452.635 g/mol
SMILES CCCCCCCCCCCCOC(CCCC(OC1=CC=CC=C1C1=CC=CC=C1)=O)=O