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Picolinyl 5,9-docosadienoate

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Picolinyl 5,9-docosadienoate
SpectraBase Compound ID D3hj1Zax5eQ
InChI InChI=1S/C28H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(30)31-26-27-22-21-24-29-25-27/h13-14,17-18,21-22,24-25H,2-12,15-16,19-20,23,26H2,1H3/b14-13-,18-17-
InChIKey RQKLQEZGVZJWEV-ZHBRIHKXSA-N
Mol Weight 427.7 g/mol
Molecular Formula C28H45NO2
Exact Mass 427.34503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J9dsdQrhdwB
Name Picolinyl 5,9-docosadienoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.345029691 u
Formula C28H45NO2
InChI InChI=1S/C28H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(30)31-26-27-22-21-24-29-25-27/h13-14,17-18,21-22,24-25H,2-12,15-16,19-20,23,26H2,1H3/b14-13-,18-17-
InChIKey RQKLQEZGVZJWEV-ZHBRIHKXSA-N
Molecular Weight 427.673 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)C\C=C/CC\C=C/CCCCCCCCCCCC