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SAB-838 / Bra-15:0 (6Me) / 6-Methyltetradecanoic acid ME

Names: Methyl 6-methyltetradecanoate;  6-Methyltetradecanoic acid methyl ester;  Methyl 6-methylmyristate

Formula: C16H32O2

Molar mass: 256.428 Da

Monoisotopic mass: 256.240 Da

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

InChI Key: BRFSXNAQUIUAKU-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on BPX70: 14.268
- ECL on Wax: 14.292
- ECL on 5% phenyl: 14.435
- KI on Wax: 2043
- KI on 5% phenyl: 1769

Non-derivatized:

Names: 6-Methyltetradecanoic acid;  6-Methylmyristic acid

Formula: C15H30O2

Molar mass: 242.401 Da

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

InChI Key: SMOJEURVXRRQOH-UHFFFAOYSA-N

InChI: 1S/C15H30O2/c1-3-4-5-6-7-8-11-14(2)12-9-10-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)



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.