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Picolinyl 5,9-octacosadienoate

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Picolinyl 5,9-octacosadienoate
SpectraBase Compound ID 1ag6zQiIhRP
InChI InChI=1S/C34H57NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-34(36)37-32-33-28-27-30-35-31-33/h19-20,23-24,27-28,30-31H,2-18,21-22,25-26,29,32H2,1H3/b20-19-,24-23-
InChIKey DVQUIRPVVDQUTK-HSRFISPZSA-N
Mol Weight 511.8 g/mol
Molecular Formula C34H57NO2
Exact Mass 511.43893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jVbJ48XQkB
Name Picolinyl 5,9-octacosadienoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.438930077 u
Formula C34H57NO2
InChI InChI=1S/C34H57NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-34(36)37-32-33-28-27-30-35-31-33/h19-20,23-24,27-28,30-31H,2-18,21-22,25-26,29,32H2,1H3/b20-19-,24-23-
InChIKey DVQUIRPVVDQUTK-HSRFISPZSA-N
Molecular Weight 511.835 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)C\C=C/CC\C=C/CCCCCCCCCCCCCCCCCC