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Glutaric acid, 2-biphenyl undecyl ester
SpectraBase Compound ID DMdOa9WTCaZ
InChI InChI=1S/C28H38O4/c1-2-3-4-5-6-7-8-9-15-23-31-27(29)21-16-22-28(30)32-26-20-14-13-19-25(26)24-17-11-10-12-18-24/h10-14,17-20H,2-9,15-16,21-23H2,1H3
InChIKey UXQSRUSRSJOMIU-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFYp5ukhLAs
Name Glutaric acid, 2-biphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.277009700 u
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-2-3-4-5-6-7-8-9-15-23-31-27(29)21-16-22-28(30)32-26-20-14-13-19-25(26)24-17-11-10-12-18-24/h10-14,17-20H,2-9,15-16,21-23H2,1H3
InChIKey UXQSRUSRSJOMIU-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES CCCCCCCCCCCOC(CCCC(OC1=CC=CC=C1C1=CC=CC=C1)=O)=O