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SAB-860 / Bra-16:0 (6Me) / 6-Methylpentadecanoic acid ME

Names: Methyl 6-Methylpentadecanoate;  6-Methylpentadecanoic acid methyl ester

Formula: C17H34O2

Molar mass: 270.454 Da

Monoisotopic mass: 270.256 Da

SMILES: CCCCCCCCCC(C)CCCCC(=O)OC

InChI Key: SCTBCAFTCKVOFI-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on BPX70: 15.246
- ECL on Wax: 15.275
- ECL on 5% phenyl: 15.423
- KI on Wax: 2143
- KI on 5% phenyl: 1868

Non-derivatized:

Name: 6-Methylpentadecanoic acid

Formula: C16H32O2

Molar mass: 256.428 Da

SMILES: CCCCCCCCCC(C)CCCCC(O)=O

InChI Key: MTCHLPIYSGEDDG-UHFFFAOYSA-N

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



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.