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SAB-078 / i-15:0 / 13-Methyltetradecanoic acid ME |
Names: Methyl 13-methyltetradecanoate; 13-Methyltetradecanoic acid methyl ester; Methyl 13-methylmyristate; 13-Methylmyristic acid methyl ester; Isopentadecanoic acid methyl ester
Formula: C16H32O2
Molar mass: 256.428 Da
Monoisotopic mass: 256.240 Da
SMILES: CC(C)CCCCCCCCCCCC(=O)OC
InChI Key: OGGUSDOXMVVCIX-UHFFFAOYSA-N
InChI: 1S/C16H32O2/c1-15(2)13-11-9-7-5-4-6-8-10-12-14-16(17)18-3/h15H,4-14H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 14.508
- ECL on Wax: 14.532
- ECL on DB225: 14.555
- ECL on 5% phenyl: 14.634
- ECL on Rxi-1: 14.643
- ECL on SLB-IL61: 14.585
- ECL on SLB-IL82: 14.572
- ECL on SLB-IL100: 14.569
- KI on Wax: 2067
- KI on DB225: 2035
- KI on 5% phenyl: 1789
Names: 13-Methyltetradecanoic acid; 13-Methylmyristic acid; Isopentadecanoic acid
Formula: C15H30O2
Molar mass: 242.401 Da
SMILES: CC(C)CCCCCCCCCCCC(O)=O
InChI Key: ZOCYQVNGROEVLU-UHFFFAOYSA-N
InChI: 1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
ChEBI code: CHEBI:39250
Lipid Maps code: LMFA01020009
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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. |