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Glutaric acid, hexadecyl 2,4,4-trimethylpentyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hexadecyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID LIPJD9JMjMT
InChI InChI=1S/C29H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-27(30)21-20-22-28(31)33-25-26(2)24-29(3,4)5/h26H,6-25H2,1-5H3
InChIKey FIDMFMKOXSKJGN-UHFFFAOYSA-N
Mol Weight 468.8 g/mol
Molecular Formula C29H56O4
Exact Mass 468.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 180aKXPnj9V
Name Glutaric acid, hexadecyl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.417860279 u
Formula C29H56O4
InChI InChI=1S/C29H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-27(30)21-20-22-28(31)33-25-26(2)24-29(3,4)5/h26H,6-25H2,1-5H3
InChIKey FIDMFMKOXSKJGN-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES C(OCC(CC(C)(C)C)C)(=O)CCCC(OCCCCCCCCCCCCCCCC)=O