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

View entire compound with spectra: 1 NMR, and 1 FTIR

Pimelic acid, di(2-(2-methoxyethyl)heptyl) ester
SpectraBase Compound ID 3msH3GCRskH
InChI InChI=1S/C27H52O6/c1-5-7-10-14-24(18-20-30-3)22-32-26(28)16-12-9-13-17-27(29)33-23-25(19-21-31-4)15-11-8-6-2/h24-25H,5-23H2,1-4H3
InChIKey ICEMGFSATXUTGS-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 2ASJqsYwuXh
Name Pimelic acid, di(2-(2-methoxyethyl)heptyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 472.376389388 u
Formula C27H52O6
InChI InChI=1S/C27H52O6/c1-5-7-10-14-24(18-20-30-3)22-32-26(28)16-12-9-13-17-27(29)33-23-25(19-21-31-4)15-11-8-6-2/h24-25H,5-23H2,1-4H3
InChIKey ICEMGFSATXUTGS-UHFFFAOYSA-N
Molecular Weight 472.707 g/mol
SMILES C(OCC(CCOC)CCCCC)(=O)CCCCCC(OCC(CCCCC)CCOC)=O