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DIU-466 / CLA (c11,t13) / c11,t13-18:2 |
Names: Methyl (11Z,13E)-octadeca-11,13-dienoate; (11Z,13E)-Octadeca-11,13-dienoic acid methyl ester; (Z,E)-11,13-Octadecadienoic acid methyl ester; 11Z,13E-Octadecadienoic acid methyl ester; cis-11, trans-13-Octadecadienoic acid methyl ester
Formula: C19H34O2
Molar mass: 294.476 Da
Monoisotopic mass: 294.256 Da
SMILES: CCCC\C=C\C=C/CCCCCCCCCC(=O)OC
InChI Key: ASXIALQSZTVPEY-MUIOLIGRSA-N
InChI: 1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h6-9H,3-5,10-18H2,1-2H3/b7-6+,9-8-
Typical retention indexes:
- ECL on BPX70: 20.200
Names: (11Z,13E)-Octadeca-11,13-dienoic acid; (Z,E)-11,13-Octadecadienoic acid; 11Z,13E-Octadecadienoic acid; cis-11, trans-13-Octadecadienoic acid
Formula: C18H32O2
Molar mass: 280.450 Da
SMILES: CCCC\C=C\C=C/CCCCCCCCCC(O)=O
InChI Key: JGFMXQLVWUGIPI-MDAAKZFYSA-N
InChI: 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-8H,2-4,9-17H2,1H3,(H,19,20)/b6-5+,8-7-
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Data are acquired on Agilent 5972, 5973 and 5975 instruments at Nofima, Institute of Marine Research and University of Bergen. Molecular structures are created in Open Babel. |