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SAB-857 / Bra-15:0 (3Me) / 3-Methyltetradecanoic acid ME |
Names: Methyl 3-methyltetradecanoate; 3-Methyltetradecanoic acid methyl ester; Methyl 3-methylmyristate; 3-Methylmyristic acid methyl ester
Formula: C16H32O2
Molar mass: 256.428 Da
Monoisotopic mass: 256.240 Da
SMILES: CCCCCCCCCCCC(C)CC(=O)OC
InChI Key: JGNXADNWMDBZMH-UHFFFAOYSA-N
InChI: 1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-15(2)14-16(17)18-3/h15H,4-14H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 14.010
- ECL on Wax: 14.106
- ECL on 5% phenyl: 14.380
- KI on Wax: 2024
- KI on 5% phenyl: 1763
Names: 3-Methyltetradecanoic acid; 3-Methylmyristic acid
Formula: C15H30O2
Molar mass: 242.401 Da
SMILES: CCCCCCCCCCCC(C)CC(O)=O
InChI Key: MMLCLKVIHVRDLL-UHFFFAOYSA-N
InChI: 1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-14(2)13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
Lipid Maps code: LMFA01020162
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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. |