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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

Non-derivatized:

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



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.