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DIU-469 / CLA (c11,c13) / c11,c13-18:2 |
Names: Methyl (11Z,13Z)-octadeca-11,13-dienoate; (11Z,13Z)-Octadeca-11,13-dienoic acid methyl ester; (Z,Z)-11,13-Octadecadienoic acid methyl ester; 11Z,13Z-Octadecadienoic acid methyl ester; cis-11, cis-123-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-JPDBVBESSA-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: 20.407
Names: (11Z,13Z)-Octadeca-10,12-dienoic acid; (Z,Z)-11,13-Octadecadienoic acid; 11Z,13Z-Octadecadienoic acid; cis-11, cis-13-Octadecadienoic acid
Formula: C18H32O2
Molar mass: 280.450 Da
SMILES: CCCC\C=C/C=C\CCCCCCCCCC(=O)O
InChI Key: JGFMXQLVWUGIPI-ISTTXYCBSA-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. |