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Pimelic acid, decyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, decyl 3-phenylpropyl ester
SpectraBase Compound ID 7wRe9HK0JeT
InChI InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-15-22-29-25(27)20-13-10-14-21-26(28)30-23-16-19-24-17-11-9-12-18-24/h9,11-12,17-18H,2-8,10,13-16,19-23H2,1H3
InChIKey RUQKRSSQJDWQEK-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UEsh18xfR3
Name Pimelic acid, decyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-15-22-29-25(27)20-13-10-14-21-26(28)30-23-16-19-24-17-11-9-12-18-24/h9,11-12,17-18H,2-8,10,13-16,19-23H2,1H3
InChIKey RUQKRSSQJDWQEK-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C(OCCCC1=CC=CC=C1)(=O)CCCCCC(OCCCCCCCCCC)=O