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SAB-859 / Bra-16:0 (8Me) / 8-Methylpentadecanoic acid ME

Names: Methyl 8-methylpentadecanoate;  8-Methylpentadecanoic acid methyl ester

Formula: C17H34O2

Molar mass: 270.454 Da

Monoisotopic mass: 270.256 Da

SMILES: CCCCCCCC(C)CCCCCCC(=O)OC

InChI Key: RYMJVHPDQMYRAG-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on BPX70: 15.292
- ECL on Wax: 15.324
- ECL on 5% phenyl: 15.446
- KI on Wax: 2148
- KI on 5% phenyl: 1870

Non-derivatized:

Name: 8-Methylpentadecanoic acid

Formula: C16H32O2

Molar mass: 256.428 Da

SMILES: CCCCCCCC(C)CCCCCCC(O)=O

InChI Key: UEXQCOYVLMNUDG-UHFFFAOYSA-N

InChI: 1S/C16H32O2/c1-3-4-5-6-9-12-15(2)13-10-7-8-11-14-16(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.