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Picolinyl 5,9-heneicosadienoate

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Picolinyl 5,9-heneicosadienoate
SpectraBase Compound ID JuFYKJvJNRv
InChI InChI=1S/C27H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(29)30-25-26-21-20-23-28-24-26/h12-13,16-17,20-21,23-24H,2-11,14-15,18-19,22,25H2,1H3/b13-12-,17-16-
InChIKey LOTFBXBKKPTRET-NQJJCMTOSA-N
Mol Weight 413.6 g/mol
Molecular Formula C27H43NO2
Exact Mass 413.32938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwA41PjWt9n
Name Picolinyl 5,9-heneicosadienoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.329379627 u
Formula C27H43NO2
InChI InChI=1S/C27H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(29)30-25-26-21-20-23-28-24-26/h12-13,16-17,20-21,23-24H,2-11,14-15,18-19,22,25H2,1H3/b13-12-,17-16-
InChIKey LOTFBXBKKPTRET-NQJJCMTOSA-N
Molecular Weight 413.646 g/mol
SMILES C1=CN=CC(=C1)COC(CCC\C=C/CC\C=C/CCCCCCCCCCC)=O