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SAB-441 / i-13:0 / 11-Methyldodecanoic acid ME |
Names: Methyl 11-methyldodecanoate; 11-Methyldodecanoic acid methyl ester; Isotridecanoic acid methyl ester
Formula: C14H28O2
Molar mass: 228.374 Da
Monoisotopic mass: 228.209 Da
SMILES: CC(C)CCCCCCCCCC(=O)OC
InChI Key: GSRXTORWPQDOOY-UHFFFAOYSA-N
InChI: 1S/C14H28O2/c1-13(2)11-9-7-5-4-6-8-10-12-14(15)16-3/h13H,4-12H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 12.502
- ECL on Wax: 12.491
- ECL on 5% phenyl: 12.613
- ECL on SLB-IL82: 12.548
- ECL on SLB-IL100: 12.545
- KI on Wax: 1861
- KI on 5% phenyl: 1587
Names: 11-Methyldodecanoic acid; Isotridecanoic acid
Formula: C13H26O2
Molar mass: 214.347 Da
SMILES: CC(C)CCCCCCCCCC(O)=O
InChI Key: SIOLDWZBFABPJU-UHFFFAOYSA-N
InChI: 1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
Lipid Maps code: LMFA01020006
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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. |