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Pimelic acid, di(3-(2-methoxyethyl)heptyl) ester

View entire compound with spectra: 1 NMR

Pimelic acid, di(3-(2-methoxyethyl)heptyl) ester
SpectraBase Compound ID DIUSunxFWsR
InChI InChI=1S/C27H52O6/c1-5-7-12-24(16-20-30-3)18-22-32-26(28)14-10-9-11-15-27(29)33-23-19-25(13-8-6-2)17-21-31-4/h24-25H,5-23H2,1-4H3
InChIKey VPZPMJVGCUYRIA-UHFFFAOYSA-N
Mol Weight 472.7 g/mol
Molecular Formula C27H52O6
Exact Mass 472.376389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ZxTFWmBhSH
Name Pimelic acid, di(3-(2-methoxyethyl)heptyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 472.376389388 u
Formula C27H52O6
InChI InChI=1S/C27H52O6/c1-5-7-12-24(16-20-30-3)18-22-32-26(28)14-10-9-11-15-27(29)33-23-19-25(13-8-6-2)17-21-31-4/h24-25H,5-23H2,1-4H3
InChIKey VPZPMJVGCUYRIA-UHFFFAOYSA-N
Molecular Weight 472.707 g/mol
SMILES C(OCCC(CCOC)CCCC)(=O)CCCCCC(OCCC(CCCC)CCOC)=O