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Picolinyl 5,9-hexacosadienoate

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Picolinyl 5,9-hexacosadienoate
SpectraBase Compound ID 9n8fe7jXHZr
InChI InChI=1S/C32H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-32(34)35-30-31-26-25-28-33-29-31/h17-18,21-22,25-26,28-29H,2-16,19-20,23-24,27,30H2,1H3/b18-17-,22-21-
InChIKey HQSDCYWVRYETBX-BJVJUIIASA-N
Mol Weight 483.8 g/mol
Molecular Formula C32H53NO2
Exact Mass 483.40763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZ5NXO1qL1D
Name Picolinyl 5,9-hexacosadienoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.407629949 u
Formula C32H53NO2
InChI InChI=1S/C32H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-32(34)35-30-31-26-25-28-33-29-31/h17-18,21-22,25-26,28-29H,2-16,19-20,23-24,27,30H2,1H3/b18-17-,22-21-
InChIKey HQSDCYWVRYETBX-BJVJUIIASA-N
Molecular Weight 483.781 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)C\C=C/CC\C=C/CCCCCCCCCCCCCCCC