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Picolinyl 21-methyl-hexacosanoate

View entire compound with spectra: 1 NMR

Picolinyl 21-methyl-hexacosanoate
SpectraBase Compound ID 2pZuUrtT40g
InChI InChI=1S/C33H59NO2/c1-3-4-20-24-31(2)25-21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-27-33(35)36-30-32-26-23-28-34-29-32/h23,26,28-29,31H,3-22,24-25,27,30H2,1-2H3
InChIKey CLQQGTIPOVJWKA-UHFFFAOYSA-N
Mol Weight 501.8 g/mol
Molecular Formula C33H59NO2
Exact Mass 501.45458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GabmlJSEQMl
Name Picolinyl 21-methyl-hexacosanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.454580142 u
Formula C33H59NO2
InChI InChI=1S/C33H59NO2/c1-3-4-20-24-31(2)25-21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-27-33(35)36-30-32-26-23-28-34-29-32/h23,26,28-29,31H,3-22,24-25,27,30H2,1-2H3
InChIKey CLQQGTIPOVJWKA-UHFFFAOYSA-N
Molecular Weight 501.840 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCCCCCCCCCCC(CCCCC)C)=O