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Glutaric acid, 2-methylpent-3-yl heptadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-methylpent-3-yl heptadecyl ester
SpectraBase Compound ID B3aC8OMI8An
InChI InChI=1S/C28H54O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-27(29)22-21-23-28(30)32-26(6-2)25(3)4/h25-26H,5-24H2,1-4H3
InChIKey CWGWWPOPUHUFOU-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 FkwaQcqDn3n
Name Glutaric acid, 2-methylpent-3-yl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.402210215 u
Formula C28H54O4
InChI InChI=1S/C28H54O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-27(29)22-21-23-28(30)32-26(6-2)25(3)4/h25-26H,5-24H2,1-4H3
InChIKey CWGWWPOPUHUFOU-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES C(CCC(OC(CC)C(C)C)=O)C(OCCCCCCCCCCCCCCCCC)=O