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DIU-968 / 18:2 NMI / t3,c9-18:2 |
Names: Methyl (3E,9Z)-octadeca-3,9-dienoate; (3E,9Z)-Octadeca-3,9-dienoic acid methyl ester; (E,Z)-3,9-Octadecadienoic acid methyl ester; 3E,9Z-Octadecadienoic acid methyl ester; trans-3,cis-9-Octadecadienoic acid methyl ester
Formula: C19H34O2
Molar mass: 294.476 Da
Monoisotopic mass: 294.256 Da
SMILES: CCCCCCCC/C=C\CCCC/C=C/CC(=O)OC
InChI Key: VBPKOPGNWSSOTC-CAKSBQQSSA-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/h10-11,16-17H,3-9,12-15,18H2,1-2H3/b11-10-,17-16+
Typical retention indexes:
- ECL on BPX70: 18.835
- ECL on Wax: 18.765
- KI on Wax: 2499
Names: (3E,9Z)-Octadeca-3,9-dienoic acid; (E,Z)-3,9-Octadecadienoic acid; 3E,9Z-Octadecadienoic acid; trans-3,cis-9-Octadecadienoic acid
Formula: C18H32O2
Molar mass: 280.450 Da
SMILES: CCCCCCCC\C=C/CCCC\C=C\CC(O)=O
InChI Key: WLKSZZAYIXDXJI-UEPWTKMESA-N
InChI: 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,15-16H,2-8,11-14,17H2,1H3,(H,19,20)/b10-9-,16-15+
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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. |