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Picolinyl 15-methyl-docosanoate

View entire compound with spectra: 1 NMR

Picolinyl 15-methyl-docosanoate
SpectraBase Compound ID 8mP576kITSV
InChI InChI=1S/C29H51NO2/c1-3-4-5-13-16-20-27(2)21-17-14-11-9-7-6-8-10-12-15-18-23-29(31)32-26-28-22-19-24-30-25-28/h19,22,24-25,27H,3-18,20-21,23,26H2,1-2H3
InChIKey IYFAGXCLUDDEKK-UHFFFAOYSA-N
Mol Weight 445.7 g/mol
Molecular Formula C29H51NO2
Exact Mass 445.39198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSHWUFBwLYo
Name Picolinyl 15-methyl-docosanoate
Comments Computed using HOSE algorithm
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Exact Mass 445.391979884 u
Formula C29H51NO2
InChI InChI=1S/C29H51NO2/c1-3-4-5-13-16-20-27(2)21-17-14-11-9-7-6-8-10-12-15-18-23-29(31)32-26-28-22-19-24-30-25-28/h19,22,24-25,27H,3-18,20-21,23,26H2,1-2H3
InChIKey IYFAGXCLUDDEKK-UHFFFAOYSA-N
Molecular Weight 445.732 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCCCCCCCCCCC(CCCCCCC)C