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DIU-171 / 18:2 n-6 ct / c9,t12-18:2 |
Names: Methyl (9Z,12E)-octadeca-9,12-dienoate; (9Z,12E)-Octadeca-9,12-dienoic acid methyl ester; (Z,E)-9,12-Octadecadienoic acid methyl ester; 9Z,12E-Octadecadienoic acid methyl ester; cis-9, trans-12-Octadecadienoic acid methyl ester
Formula: C19H34O2
Molar mass: 294.476 Da
Monoisotopic mass: 294.256 Da
SMILES: CCCCC\C=C\C\C=C/CCCCCCCC(=O)OC
InChI Key: WTTJVINHCBCLGX-LFOHPMNASA-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/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10-
Typical retention indexes:
- ECL on BPX70: 18.882
- ECL on Wax: 18.695
- KI on Wax: 2492
Names: (9Z,12E)-octadeca-9,12-dienoic acid; (Z,E)-9,12-Octadecadienoic acid; 9Z,12E-Octadecadienoic acid; cis-9, trans-12-Octadecadienoic acid
Formula: C18H32O2
Molar mass: 280.450 Da
SMILES: CCCCC\C=C\C\C=C/CCCCCCCC(O)=O
InChI Key: OYHQOLUKZRVURQ-KQHSAVHASA-N
InChI: 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9-
Lipid Maps code: LMFA01030121
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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. |