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4(Z),10(Z),13(Z),16(Z)-Docosatetraenoate

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4(Z),10(Z),13(Z),16(Z)-Docosatetraenoate <methyl->
SpectraBase Compound ID 68kisOxfR2A
InChI InChI=1S/C23H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h7-8,10-11,13-14,19-20H,3-6,9,12,15-18,21-22H2,1-2H3/b8-7-,11-10-,14-13-,20-19-
InChIKey JXKCBSKPWHNCFL-MUDRAGMJSA-N
Mol Weight 346.6 g/mol
Molecular Formula C23H38O2
Exact Mass 346.28718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wfAXpOUYf2
Name cis-4,10,13,16-Docosatetraenoic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.287180462 u
Formula C23H38O2
InChI InChI=1S/C23H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h7-8,10-11,13-14,19-20H,3-6,9,12,15-18,21-22H2,1-2H3/b8-7-,11-10-,14-13-,20-19-
InChIKey JXKCBSKPWHNCFL-MUDRAGMJSA-N
Molecular Weight 346.555 g/mol
SMILES CCCCC\C=C/C\C=C/C\C=C/CCCC\C=C/CCC(=O)OC