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Pimelic acid, 2-ethylhexyl octadecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 2-ethylhexyl octadecyl ester
SpectraBase Compound ID HEeOSCihJpz
InChI InChI=1S/C33H64O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29-36-32(34)27-23-22-24-28-33(35)37-30-31(6-3)26-8-5-2/h31H,4-30H2,1-3H3
InChIKey HWKGYKYHPZCPLD-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 Ab1ZkSvehdy
Name Pimelic acid, 2-ethylhexyl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.480460537 u
Formula C33H64O4
InChI InChI=1S/C33H64O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29-36-32(34)27-23-22-24-28-33(35)37-30-31(6-3)26-8-5-2/h31H,4-30H2,1-3H3
InChIKey HWKGYKYHPZCPLD-UHFFFAOYSA-N
Molecular Weight 524.871 g/mol
SMILES C(OCC(CC)CCCC)(=O)CCCCCC(OCCCCCCCCCCCCCCCCCC)=O