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Methyl (2Z,4E,8Z,11Z,14Z,17Z)-icosa-2,4,8,11,14,17-hexaenoate

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Methyl (2Z,4E,8Z,11Z,14Z,17Z)-icosa-2,4,8,11,14,17-hexaenoate
SpectraBase Compound ID AphUOWilZFl
InChI InChI=1S/C21H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,17-20H,3,6,9,12,15-16H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,18-17+,20-19-
InChIKey JZLZTVVCYFSSPJ-FRNAYAGESA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1YtTnXBh8x
Name Methyl (2Z,4E,8Z,11Z,14Z,17Z)-icosa-2,4,8,11,14,17-hexaenoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.224580204 u
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,17-20H,3,6,9,12,15-16H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,18-17+,20-19-
InChIKey JZLZTVVCYFSSPJ-FRNAYAGESA-N
Molecular Weight 314.469 g/mol
SMILES C(\C=C/C=C/CC\C=C/C\C=C/C\C=C/C\C=C/CC)(=O)OC