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SAB-831 / Bra-17:0 (11Me) / 11-Methylhexadecanoic acid ME |
Names: Methyl 11-methylhexadecanoate; 11-Methylhexadecanoic acid methyl ester; Methyl 11-methylpalmitate; 11-Methylpalmitic acid methyl ester
Formula: C18H36O2
Molar mass: 284.481 Da
Monoisotopic mass: 284.272 Da
SMILES: CCCCCC(C)CCCCCCCCCC(=O)OC
InChI Key: JHQUIENCXDNKNC-UHFFFAOYSA-N
InChI: 1S/C18H36O2/c1-4-5-11-14-17(2)15-12-9-7-6-8-10-13-16-18(19)20-3/h17H,4-16H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 16.334
- ECL on Wax: 16.354
- ECL on 5% phenyl: 16.469
- KI on Wax: 2253
- KI on 5% phenyl: 1973
Names: 11-Methylhexadecanoic acid; 11-Methylpalmitic acid
Formula: C17H34O2
Molar mass: 270.454 Da
SMILES: CCCCCC(C)CCCCCCCCCC(O)=O
InChI Key: AOKNWGQMRWJWFS-UHFFFAOYSA-N
InChI: 1S/C17H34O2/c1-3-4-10-13-16(2)14-11-8-6-5-7-9-12-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
Lipid Maps code: LMFA01020194
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. |