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SAB-074 / i-17:0 / 15-Methylhexadecanoic acid ME

Names: Methyl 15-methylhexadecanoate;  15-Methylhexadecanoic acid methyl ester;  15-Methylpalmitic acid methyl ester;  Methyl 15-methylpalmitate

Formula: C18H36O2

Molar mass: 284.481 Da

Monoisotopic mass: 284.272 Da

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

InChI Key: BNHKXOIJKIMOJH-UHFFFAOYSA-N

InChI: 1S/C18H36O2/c1-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20-3/h17H,4-16H2,1-3H3

Typical retention indexes:
- ECL on BPX70: 16.502
- ECL on BP20: 16.523
- ECL on DB225: 16.551
- ECL on SLB-IL61: 16.577
- ECL on SLB-IL100: 16.574

Non-derivatized:

Names: 15-Methylhexadecanoic acid;  15-Methylhexadecanoic acid;  15-Methylpalmitic acid

Formula: C17H34O2

Molar mass: 270.454 Da

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

InChI Key: IIUXHTGBZYEGHI-UHFFFAOYSA-N

InChI: 1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)

Lipid Maps code: LMFA01020012



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.