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MOU-297 / 16:1 n-13 t / t3-16:1 |
Names: Methyl (E)-hexadec-3-enoate; (E)-Hexadec-3-enoic acid methyl ester; (E)-3-Hexadecenoic acid methyl ester; 3E-Hexadecenoic acid methyl ester; trans-3-Hexadecenoic acid methyl ester
Formula: C17H32O2
Molar mass: 268.439 Da
Monoisotopic mass: 268.240 Da
SMILES: CCCCCCCCCCCC/C=C/CC(=O)OC
InChI Key: ILLUMUYFLYQHKS-CCEZHUSRSA-N
InChI: 1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h14-15H,3-13,16H2,1-2H3/b15-14+
Typical retention indexes:
- ECL on BPX70: 16.392
- ECL on Wax: 16.524
- ECL on DB225: 16.279
- ECL on 5% phenyl: 15.960
- ECL on Rxi-1: 15.917
- ECL on SLB-IL100: 16.201
- KI on Wax: 2270
- KI on DB225: 2213
- KI on 5% phenyl: 1922
Names: (E)-Hexadec-3-enoic acid; (E)-3-Hexadecenoic acid; 3E-Hexadecenoic acid; trans-3-Hexadecenoic acid
Formula: C16H30O2
Molar mass: 254.412 Da
SMILES: CCCCCCCCCCCC\C=C\CC(O)=O
InChI Key: PCBKWKNYISJGPJ-BUHFOSPRSA-N
InChI: 1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h13-14H,2-12,15H2,1H3,(H,17,18)/b14-13+
Lipid Maps code: LMFA01030266
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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. |