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SAB-910 / i-12:0 / 10-Methylundecanoic acid ME |
Names: Methyl 10-methylundecanoate; 10-Methylundecanoic acid methyl ester; Methyl isolaurate
Formula: C13H26O2
Molar mass: 214.347 Da
Monoisotopic mass: 214.193 Da
SMILES: CC(C)CCCCCCCCC(=O)OC
InChI Key: XPVCTJYIICVJOE-UHFFFAOYSA-N
InChI: 1S/C13H26O2/c1-12(2)10-8-6-4-5-7-9-11-13(14)15-3/h12H,4-11H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 11.530
- ECL on Wax: 11.526
- ECL on 5% phenyl: 11.636
- KI on Wax: 1760
- KI on 5% phenyl: 1488
Names: 10-Methylundecanoic acid; Isolauric acid
Formula: C12H24O2
Molar mass: 200.320 Da
SMILES: CC(C)CCCCCCCCC(O)=O
InChI Key: QJRRBVNPIKYRQJ-UHFFFAOYSA-N
InChI: 1S/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
Lipid Maps code: LMFA01020004
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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. |