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Sebacic acid, dodecyl 4-methoxy-2-methylbutyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dodecyl 4-methoxy-2-methylbutyl ester
SpectraBase Compound ID 1Eg0MbaIbeu
InChI InChI=1S/C28H54O5/c1-4-5-6-7-8-9-10-13-16-19-23-32-27(29)20-17-14-11-12-15-18-21-28(30)33-25-26(2)22-24-31-3/h26H,4-25H2,1-3H3
InChIKey NPRXFTVHKWSDGK-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C28H54O5
Exact Mass 470.397125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOsXmOlqMq0
Name Sebacic acid, dodecyl 4-methoxy-2-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.397124834 u
Formula C28H54O5
InChI InChI=1S/C28H54O5/c1-4-5-6-7-8-9-10-13-16-19-23-32-27(29)20-17-14-11-12-15-18-21-28(30)33-25-26(2)22-24-31-3/h26H,4-25H2,1-3H3
InChIKey NPRXFTVHKWSDGK-UHFFFAOYSA-N
Molecular Weight 470.735 g/mol
SMILES C(CCCCC(OCC(C)CCOC)=O)CCCC(OCCCCCCCCCCCC)=O