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SAB-861 / Bra-16:0 (11Me) / 11-Methylpentadecanoic acid ME |
Names: Methyl 11-methylpentadecanoate; 11-Methylpentadecanoic acid methyl ester
Formula: C17H34O2
Molar mass: 270.454 Da
Monoisotopic mass: 270.256 Da
SMILES: CCCCC(C)CCCCCCCCCC(=O)OC
InChI Key: ZDVHSZAZUSGULB-UHFFFAOYSA-N
InChI: 1S/C17H34O2/c1-4-5-13-16(2)14-11-9-7-6-8-10-12-15-17(18)19-3/h16H,4-15H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 15.396
- ECL on Wax: 15.409
- ECL on 5% phenyl: 15.512
- KI on Wax: 2156
- KI on 5% phenyl: 1877
Name: 11-Methylpentadecanoic acid
Formula: C16H32O2
Molar mass: 256.428 Da
SMILES: CCCCC(C)CCCCCCCCCC(O)=O
InChI Key: QLPMSZTUPLRAOY-UHFFFAOYSA-N
InChI: 1S/C16H32O2/c1-3-4-12-15(2)13-10-8-6-5-7-9-11-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
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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. |