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Pimelic acid, 2-ethylhexyl heptadecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 2-ethylhexyl heptadecyl ester
SpectraBase Compound ID ofkuD3xUQj
InChI InChI=1S/C32H62O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-24-28-35-31(33)26-22-21-23-27-32(34)36-29-30(6-3)25-8-5-2/h30H,4-29H2,1-3H3
InChIKey IQJGQZAEPQZNHJ-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 COpNdNI9Uxm
Name Pimelic acid, 2-ethylhexyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 510.464810472 u
Formula C32H62O4
InChI InChI=1S/C32H62O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-24-28-35-31(33)26-22-21-23-27-32(34)36-29-30(6-3)25-8-5-2/h30H,4-29H2,1-3H3
InChIKey IQJGQZAEPQZNHJ-UHFFFAOYSA-N
Molecular Weight 510.844 g/mol
SMILES C(OCC(CC)CCCC)(=O)CCCCCC(OCCCCCCCCCCCCCCCCC)=O