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Glutaric acid, 2,3-dimethylphenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,3-dimethylphenyl pentadecyl ester
SpectraBase Compound ID 5ZEiF4MBEJ0
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-31-27(29)21-18-22-28(30)32-26-20-17-19-24(2)25(26)3/h17,19-20H,4-16,18,21-23H2,1-3H3
InChIKey QEEZOURDZKKGMX-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wkrMb9dCEZ
Name Glutaric acid, 2,3-dimethylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-31-27(29)21-18-22-28(30)32-26-20-17-19-24(2)25(26)3/h17,19-20H,4-16,18,21-23H2,1-3H3
InChIKey QEEZOURDZKKGMX-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES CCCCCCCCCCCCCCCOC(CCCC(OC1=CC=CC(=C1C)C)=O)=O