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POU-539 / 18:3 n-6 cct / c6,c9,t12-18:3 |
Names: Methyl (6Z,9Z,12E)-octadeca-6,9,12-trienoate; (6Z,9Z,12E)-Octadeca-6,9,12-trienoic acid methyl ester; (Z,Z,E)-6,9,12-Octadecatrienoic acid methyl ester; 6Z,9Z,12E-Octadecatrienoic acid methyl ester; cis-6, cis-9, trans-12-Octadecatrienoic acid methyl ester
Formula: C19H32O2
Molar mass: 292.461 Da
Monoisotopic mass: 292.240 Da
SMILES: CCCCC\C=C\C/C=C\C/C=C\CCCCC(=O)OC
InChI Key: JFRWATCOFCPIBM-AERNHLEVSA-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/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7+,11-10-,14-13-
Typical retention indexes:
- ECL on BPX70: 19.339
Names: (6Z,9Z,12E)-Octadeca-6,9,12-trienoic acid; (Z,Z,E)-6,9,12-Octadecatrienoic acid; 6Z,9Z,12E-Octadecatrienoic acid; cis-6, cis-9, trans-12-Octadecatrienoic acid
Formula: C18H30O2
Molar mass: 278.434 Da
SMILES: CCCCC\C=C\C\C=C/C/C=C\CCCCC(O)=O
InChI Key: VZCCETWTMQHEPK-SAAUORLLSA-N
InChI: 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6+,10-9-,13-12-
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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. |