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SAB-837 / Bra-15:0 (7Me) / 7-Methyltetradecanoic acid ME

Names: Methyl 7-methyltetradecanoate;  7-Methyltetradecanoic acid methyl ester;  Methyl 7-methylmyristate

Formula: C16H32O2

Molar mass: 256.428 Da

Monoisotopic mass: 256.240 Da

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

InChI Key: CRMDFOKZCQCESY-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on BPX70: 14.334
- ECL on Wax: 14.364
- ECL on 5% phenyl: 14.481
- KI on Wax: 2050
- KI on 5% phenyl: 1773

Non-derivatized:

Names: 7-Methyltetradecanoic acid;  7-Methylmyristic acid

Formula: C15H30O2

Molar mass: 242.401 Da

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

InChI Key: LNQHZFVREAXMGH-UHFFFAOYSA-N

InChI: 1S/C15H30O2/c1-3-4-5-6-8-11-14(2)12-9-7-10-13-15(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.