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(Z,Z)-Octadeca-5,9-dienic acid, picolinyl ester
SpectraBase Compound ID 6VbRRQJwYYD
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/h9-10,13-14,17-18,20-21H,2-8,11-12,15-16,19,22H2,1H3/b10-9-,14-13-
InChIKey XVFSINHAWUSVMO-KWUOUXIESA-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 FOHjiCLGp2J
Name (Z,Z)-Octadeca-5,9-dienic acid, picolinyl ester
Comments Computed using HOSE algorithm
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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/h9-10,13-14,17-18,20-21H,2-8,11-12,15-16,19,22H2,1H3/b10-9-,14-13-
InChIKey XVFSINHAWUSVMO-KWUOUXIESA-N
Molecular Weight 371.565 g/mol
SMILES C1=CN=CC(=C1)COC(CCC\C=C/CC\C=C/CCCCCCCC)=O