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Picolinyl 9,12-hexadecadienoate

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Picolinyl 9,12-hexadecadienoate
SpectraBase Compound ID 7so2npOj0s3
InChI InChI=1S/C22H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(24)25-20-21-16-15-18-23-19-21/h4-5,7-8,15-16,18-19H,2-3,6,9-14,17,20H2,1H3/b5-4-,8-7-
InChIKey VDGQPOZVWUYQLM-UTOQUPLUSA-N
Mol Weight 343.5 g/mol
Molecular Formula C22H33NO2
Exact Mass 343.251129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6pEB6LXHuag
Name Picolinyl 9,12-hexadecadienoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.251129305 u
Formula C22H33NO2
InChI InChI=1S/C22H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(24)25-20-21-16-15-18-23-19-21/h4-5,7-8,15-16,18-19H,2-3,6,9-14,17,20H2,1H3/b5-4-,8-7-
InChIKey VDGQPOZVWUYQLM-UTOQUPLUSA-N
Molecular Weight 343.511 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCC\C=C/C\C=C/CCC)=O