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SAB-242 / i-14:0 / 12-Methyltridecanoic acid ME

Names: methyl 12-methyltridecanoate;  12-Methyltridecanoic acid methyl ester;  Methyl isomyristate;  Isomyristic acid methyl ester

Formula: C15H30O2

Molar mass: 242.401 Da

Monoisotopic mass: 242.225 Da

SMILES: CC(C)CCCCCCCCCCC(=O)OC

InChI Key: FLESKWMKPOBWDE-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on BPX70: 13.492
- ECL on BP20: 13.505
- ECL on SLB-IL82: 13.554
- ECL on SLB-IL100: 13.556

Non-derivatized:

Names: 12-Methyltridecanoic acid;  Isomyristic acid

Formula: C14H28O2

Molar mass: 228.374 Da

SMILES: CC(C)CCCCCCCCCCC(O)=O

InChI Key: YYVJAABUJYRQJO-UHFFFAOYSA-N

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

ChEBI code: CHEBI:43722

Lipid Maps code: LMFA01020007



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.