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Sebacic acid, 2-ethylbutyl pentadecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-ethylbutyl pentadecyl ester
SpectraBase Compound ID E2t4OhiKnt
InChI InChI=1S/C31H60O4/c1-4-7-8-9-10-11-12-13-14-15-18-21-24-27-34-30(32)25-22-19-16-17-20-23-26-31(33)35-28-29(5-2)6-3/h29H,4-28H2,1-3H3
InChIKey QOCWBEHPCPFYBG-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C31H60O4
Exact Mass 496.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F7ImyOeOr2e
Name Sebacic acid, 2-ethylbutyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 496.449160408 u
Formula C31H60O4
InChI InChI=1S/C31H60O4/c1-4-7-8-9-10-11-12-13-14-15-18-21-24-27-34-30(32)25-22-19-16-17-20-23-26-31(33)35-28-29(5-2)6-3/h29H,4-28H2,1-3H3
InChIKey QOCWBEHPCPFYBG-UHFFFAOYSA-N
Molecular Weight 496.817 g/mol
SMILES C(CCCCCC(OCC(CC)CC)=O)CCC(OCCCCCCCCCCCCCCC)=O