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9,12,15,18,21-Tetracosapentaenoate (all-Z)

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9,12,15,18,21-Tetracosapentaenoate (all-Z) <methyl->
SpectraBase Compound ID KTvAaZAEHed
InChI InChI=1S/C25H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h15-24H,3-14H2,1-2H3/b16-15+,18-17+,20-19+,22-21+,24-23+
InChIKey SGBMYGGEOQKEOP-YHQHYLOESA-N
Mol Weight 372.6 g/mol
Molecular Formula C25H40O2
Exact Mass 372.302831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7eaXry8eeQu
Name 9,12,15,18,21-Tetracosapentaenoate (all-Z)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.302830526 u
Formula C25H40O2
InChI InChI=1S/C25H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h15-24H,3-14H2,1-2H3/b16-15+,18-17+,20-19+,22-21+,24-23+
InChIKey SGBMYGGEOQKEOP-YHQHYLOESA-N
Molecular Weight 372.593 g/mol
SMILES C(\C=C\C=C\C=C\C=C\C=C\CCCCCCCCCCCCC)(=O)OC