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SAB-901 / ai-14:0 / 11-Methyltridecanoic acid ME

Names: Methyl 11-methyltridecanoate;  11-Methyltridecanoic acid methyl ester

Formula: C15H30O2

Molar mass: 242.401 Da

Monoisotopic mass: 242.225 Da

SMILES: CCC(C)CCCCCCCCCC(=O)OC

InChI Key: KXVISLMYSJMHMJ-UHFFFAOYSA-N

InChI: 1S/C15H30O2/c1-4-14(2)12-10-8-6-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3

Typical retention indexes:
- ECL on BPX70: 13.721
- ECL on Wax: 13.662
- ECL on 5% phenyl: 13.706
- KI on Wax: 1979
- KI on 5% phenyl: 1695

Non-derivatized:

Name: 11-Methyltridecanoic acid

Formula: C14H28O2

Molar mass: 228.374 Da

SMILES: CCC(C)CCCCCCCCCC(O)=O

InChI Key: JIPTZBYHWFNYFB-UHFFFAOYSA-N

InChI: 1S/C14H28O2/c1-3-13(2)11-9-7-5-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)

Lipid Maps code: LMFA01020190



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.