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POU-718 / CLnA (x8,x10,x12) / x8,x10,x12-18:3

Names: Methyl octadeca-8,10,12-trienoate;  Octadeca-8,10,12-trienoic acid methyl ester;  8,10,12-Octadecatrienoic acid methyl ester;  Octadeca-8,10,12-trienoic acid;  8,10,12-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: 22.930
- ECL on Wax: 21.843
- ECL on DB225: 21.337
- ECL on 5% phenyl: 19.259
- KI on Wax: 2816
- KI on DB225: 2739
- KI on 5% phenyl: 2254

Additional information:
Conjugated linolenic acid. Geometric isomerism is unknown.

Non-derivatized:

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)



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.