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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: 13.495
- ECL on Wax: 13.505
- ECL on 5% phenyl: 13.626
- ECL on SLB-IL82: 13.554
- ECL on SLB-IL100: 13.556
- KI on Wax: 1964
- KI on 5% phenyl: 1688
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
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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. |