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3-Picolinyl octadeca-9,12-dienoate

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3-Picolinyl octadeca-9,12-dienoate
SpectraBase Compound ID 2TRHCTQdiZT
InChI InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h6-7,9-10,17-18,20-21H,2-5,8,11-16,19,22H2,1H3/b7-6+,10-9+
InChIKey CBIJRFCIJWDVAB-AVQMFFATSA-N
Mol Weight 371.6 g/mol
Molecular Formula C24H37NO2
Exact Mass 371.282429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9LujvHp7RnU
Name 3-Picolinyl octadeca-9,12-dienoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.282429433 u
Formula C24H37NO2
InChI InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h6-7,9-10,17-18,20-21H,2-5,8,11-16,19,22H2,1H3/b7-6+,10-9+
InChIKey CBIJRFCIJWDVAB-AVQMFFATSA-N
Molecular Weight 371.565 g/mol
SMILES CCCCC\C=C\C\C=C\CCCCCCCC(OCC1=CN=CC=C1)=O