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Picolinyl 21-methyl docosanoate

View entire compound with spectra: 1 NMR

Picolinyl 21-methyl docosanoate
SpectraBase Compound ID FRis7dJB1IC
InChI InChI=1S/C29H51NO2/c1-27(2)21-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-23-29(31)32-26-28-22-20-24-30-25-28/h20,22,24-25,27H,3-19,21,23,26H2,1-2H3
InChIKey GCIOQBWDQLZFEB-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 1If0evpb35N
Name Picolinyl 21-methyl docosanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.391979884 u
Formula C29H51NO2
InChI InChI=1S/C29H51NO2/c1-27(2)21-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-23-29(31)32-26-28-22-20-24-30-25-28/h20,22,24-25,27H,3-19,21,23,26H2,1-2H3
InChIKey GCIOQBWDQLZFEB-UHFFFAOYSA-N
Molecular Weight 445.732 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCCCCCCCCCCCCCCCCC(C)C