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Pimelic acid, 3-(2-methoxyethyl)nonyl nonyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 3-(2-methoxyethyl)nonyl nonyl ester
SpectraBase Compound ID 8C5TcEC7sy7
InChI InChI=1S/C28H54O5/c1-4-6-8-10-11-12-17-23-32-27(29)19-15-13-16-20-28(30)33-25-22-26(21-24-31-3)18-14-9-7-5-2/h26H,4-25H2,1-3H3
InChIKey KWGMYWOSLHWLJO-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C28H54O5
Exact Mass 470.397125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yRcYMlepE6
Name Pimelic acid, 3-(2-methoxyethyl)nonyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.397124834 u
Formula C28H54O5
InChI InChI=1S/C28H54O5/c1-4-6-8-10-11-12-17-23-32-27(29)19-15-13-16-20-28(30)33-25-22-26(21-24-31-3)18-14-9-7-5-2/h26H,4-25H2,1-3H3
InChIKey KWGMYWOSLHWLJO-UHFFFAOYSA-N
Molecular Weight 470.735 g/mol
SMILES C(OCCC(CCCCCC)CCOC)(=O)CCCCCC(OCCCCCCCCC)=O