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MOU-964 / 18:1 n-13 t / t5-18:1 |
Names: methyl (E)-Octadec-5-enoate; (E)-Octadec-5-enoic acid methyl ester; (E)-5-Octadecenoic acid methyl ester; 5E-Octadecenoic acid methyl ester; cis-5-Octadecenoic acid methyl ester; Thalictric acid methyl ester
Formula: C19H36O2
Molar mass: 296.492 Da
Monoisotopic mass: 296.272 Da
SMILES: CCCCCCCCCCCC/C=C/CCCC(=O)OC
InChI Key: JZRRJXZLBLHXBZ-CCEZHUSRSA-N
InChI: 1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h14-15H,3-13,16-18H2,1-2H3/b15-14+
Typical retention indexes:
- ECL on BPX70: 18.202
- ECL on Wax: 18.230
- ECL on 5% phenyl: 17.840
- ECL on Rxi-1: 17.802
- KI on Wax: 2445
- KI on 5% phenyl: 2111
Names: (E)-Octadec-5-enoic acid; (E)-5-Octadecenoic acid; 5E-Octadecenoic acid; cis-5-Octadecenoic acid; Thalictric acid
Formula: C18H34O2
Molar mass: 282.465 Da
SMILES: CCCCCCCCCCCC\C=C\CCCC(O)=O
InChI Key: AQWHMKSIVLSRNY-BUHFOSPRSA-N
InChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14H,2-12,15-17H2,1H3,(H,19,20)/b14-13+
Lipid Maps code: LMFA01030065
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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. |