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Sebacic acid, 6-ethyloct-3-yl tridecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 6-ethyloct-3-yl tridecyl ester
SpectraBase Compound ID DWAI5SMEmTK
InChI InChI=1S/C33H64O4/c1-5-9-10-11-12-13-14-15-18-21-24-29-36-32(34)25-22-19-16-17-20-23-26-33(35)37-31(8-4)28-27-30(6-2)7-3/h30-31H,5-29H2,1-4H3
InChIKey YSFOTZQCVDROIA-UHFFFAOYSA-N
Mol Weight 524.9 g/mol
Molecular Formula C33H64O4
Exact Mass 524.480461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGuSKcr2HaE
Name Sebacic acid, 6-ethyloct-3-yl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 524.480460537 u
Formula C33H64O4
InChI InChI=1S/C33H64O4/c1-5-9-10-11-12-13-14-15-18-21-24-29-36-32(34)25-22-19-16-17-20-23-26-33(35)37-31(8-4)28-27-30(6-2)7-3/h30-31H,5-29H2,1-4H3
InChIKey YSFOTZQCVDROIA-UHFFFAOYSA-N
Molecular Weight 524.871 g/mol
SMILES C(CCCCCCCC(OC(CCC(CC)CC)CC)=O)C(OCCCCCCCCCCCCC)=O