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Picolinyl 24-methylpentacosanoate
SpectraBase Compound ID gFqfd7SqNl
InChI InChI=1S/C32H57NO2/c1-30(2)24-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-26-32(34)35-29-31-25-23-27-33-28-31/h23,25,27-28,30H,3-22,24,26,29H2,1-2H3
InChIKey LZWATWKXSSGORH-UHFFFAOYSA-N
Mol Weight 487.8 g/mol
Molecular Formula C32H57NO2
Exact Mass 487.43893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7rHo2CpcrMg
Name Picolinyl 24-methylpentacosanoate
Comments Computed using HOSE algorithm
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Exact Mass 487.438930077 u
Formula C32H57NO2
InChI InChI=1S/C32H57NO2/c1-30(2)24-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-26-32(34)35-29-31-25-23-27-33-28-31/h23,25,27-28,30H,3-22,24,26,29H2,1-2H3
InChIKey LZWATWKXSSGORH-UHFFFAOYSA-N
Molecular Weight 487.813 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCCCCCCCCCCCCCCCCCCCC(C)C