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SAB-072 / i-16:0 / 14-Methylpentadecanoic acid ME

Names: Methyl 14-methylpentadecanoate;  14-Methylpentadecanoic acid methyl ester;  Isopalmitic acid methyl ester;  Isohexadecanoic acid methyl ester

Formula: C17H34O2

Molar mass: 270.454 Da

Monoisotopic mass: 270.256 Da

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

InChI Key: WAKCWJNDXBPEBP-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on BPX70: 15.506
- ECL on BP20: 15.526
- ECL on DB225: 15.553
- ECL on SLB-IL61: 15.579
- ECL on SLB-IL82: 15.569
- ECL on SLB-IL100: 15.567

Non-derivatized:

Names: 14-Methylpentadecanoic acid;  Isopalmitic acid;  Isohexadecanoic acid

Formula: C16H32O2

Molar mass: 256.428 Da

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

InChI Key: ZONJATNKKGGVSU-UHFFFAOYSA-N

InChI: 1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)

Lipid Maps code: LMFA01020010



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.