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

View entire compound with spectra: 1 NMR

Sebacic acid, dodecyl 6-ethyloct-3-yl ester
SpectraBase Compound ID DkH0EkYrd1o
InChI InChI=1S/C32H62O4/c1-5-9-10-11-12-13-14-17-20-23-28-35-31(33)24-21-18-15-16-19-22-25-32(34)36-30(8-4)27-26-29(6-2)7-3/h29-30H,5-28H2,1-4H3
InChIKey ODIHBPOXKAJDCZ-UHFFFAOYSA-N
Mol Weight 510.8 g/mol
Molecular Formula C32H62O4
Exact Mass 510.46481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID eS8YScY50c
Name Sebacic acid, dodecyl 6-ethyloct-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.464810472 u
Formula C32H62O4
InChI InChI=1S/C32H62O4/c1-5-9-10-11-12-13-14-17-20-23-28-35-31(33)24-21-18-15-16-19-22-25-32(34)36-30(8-4)27-26-29(6-2)7-3/h29-30H,5-28H2,1-4H3
InChIKey ODIHBPOXKAJDCZ-UHFFFAOYSA-N
Molecular Weight 510.844 g/mol
SMILES C(CCCCCCCC(OC(CCC(CC)CC)CC)=O)C(OCCCCCCCCCCCC)=O