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methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
SpectraBase Compound ID IFPmHqcqbVc
InChI InChI=1S/C23H34O2/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/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKey VCDLWFYODNTQOT-JDPCYWKWSA-N
Mol Weight 342.5 g/mol
Molecular Formula C23H34O2
Exact Mass 342.25588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4L2xW5xIH51
Name Methyl-all cis-4,7,10,13,16,19-docosahexaenoate
CAS Registry Number 2566-90-7
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Formula C23H34O2
InChI InChI=1S/C23H34O2/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/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKey VCDLWFYODNTQOT-JDPCYWKWSA-N
Instrument Name Special
Literature Reference J.G. Batchelor, R.J. Cushley, J.H. Prestegard, J. Org. Chem. 39, 1698 (1974).
NMR Standard (CH3)6 Si2O
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3