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Glutaric acid, 2,4-dimethylpent-3-yl hexadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,4-dimethylpent-3-yl hexadecyl ester
SpectraBase Compound ID AaemVh1XOhl
InChI InChI=1S/C28H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-26(29)21-20-22-27(30)32-28(24(2)3)25(4)5/h24-25,28H,6-23H2,1-5H3
InChIKey MKEGGCNJFPAQRF-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C28H54O4
Exact Mass 454.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XHxNIbLJJw
Name Glutaric acid, 2,4-dimethylpent-3-yl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.402210215 u
Formula C28H54O4
InChI InChI=1S/C28H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-26(29)21-20-22-27(30)32-28(24(2)3)25(4)5/h24-25,28H,6-23H2,1-5H3
InChIKey MKEGGCNJFPAQRF-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES CC(C(OC(CCCC(OCCCCCCCCCCCCCCCC)=O)=O)C(C)C)C