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POU-724 / CLnA (x9,x11,x13) / x9,x11,x13-18:3 |
Names: Methyl octadeca-9,11,13-trienoate; Octadeca-9,11,13-trienoic acid methyl ester; 9,11,13-Octadecatrienoic acid methyl ester; Octadeca-9,11,13-trienoic acid; 9,11,13-Octadecatrienoic acid
Formula: C19H32O2
Molar mass: 292.461 Da
Monoisotopic mass: 292.240 Da
SMILES: CCCCCC=CC=CC=CCCCCCCC(=O)OC
InChI Key: HHGSORSQNMLLED-UHFFFAOYSA-N
InChI: 1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-12H,3-6,13-18H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 23.203
- ECL on Wax: 22.152
- ECL on DB225: 21.580
- ECL on 5% phenyl: 19.568
- KI on Wax: 2848
- KI on DB225: 2764
- KI on 5% phenyl: 2285
Additional information:
Conjugated linolenic acid. Geometric isomerism is unknown.
Formula: C18H30O2
Molar mass: 278.434 Da
SMILES: CCCCCC=CC=CC=CCCCCCCC(O)=O
InChI Key: DQGMPXYVZZCNDQ-UHFFFAOYSA-N
InChI: 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)
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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. |