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Pimelic acid, phenethyl undecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, phenethyl undecyl ester
SpectraBase Compound ID Loa4pSw9ASR
InChI InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-16-22-29-25(27)19-14-11-15-20-26(28)30-23-21-24-17-12-10-13-18-24/h10,12-13,17-18H,2-9,11,14-16,19-23H2,1H3
InChIKey LIJBHUXCFIKBEC-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 9mlm8nzqTfR
Name Pimelic acid, phenethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-16-22-29-25(27)19-14-11-15-20-26(28)30-23-21-24-17-12-10-13-18-24/h10,12-13,17-18H,2-9,11,14-16,19-23H2,1H3
InChIKey LIJBHUXCFIKBEC-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C(OCCC1=CC=CC=C1)(=O)CCCCCC(OCCCCCCCCCCC)=O