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DIU-168 / CLA (c9,t11) / c9,t11-18:2

Names: Methyl (9E,11Z)-octadeca-9,11-dienoate;  (9E,11Z)-Octadeca-9,11-dienoic acid methyl ester;  (E,Z)-9,11-Octadecadienoic acid methyl ester;  9E,11Z-Octadecadienoic acid methyl ester;  trans-9, cis-11-Octadecadienoic acid methyl ester

Formula: C19H34O2

Molar mass: 294.476 Da

Monoisotopic mass: 294.256 Da

SMILES: CCCCCC/C=C\C=C\CCCCCCCC(=O)OC

InChI Key: KVIWYYOMPLJRMC-QNRZBPGKSA-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/h8-11H,3-7,12-18H2,1-2H3/b9-8-,11-10+

Typical retention indexes:
- ECL on BPX70: 20.095
- ECL on BP20: 19.520

Non-derivatized:

Names: (9E,11Z)-Octadeca-9,11-dienoic acid;  (E,Z)-9,11-Octadecadienoic acid;  9E,11Z-Octadecadienoic acid;  trans-9, cis-11-Octadecadienoic acid

Formula: C18H32O2

Molar mass: 280.450 Da

SMILES: CCCCCC\C=C/C=C/CCCCCCCC(O)=O

InChI Key: JBYXPOFIGCOSSB-UQGDGPGGSA-N

InChI: 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7-,10-9+



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.