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SAB-834 / Bra-18:0 (10Me) / 10-Methylheptadecanoic acid ME |
Names: Methyl 10-methylheptadecanoate; 10-methylheptadecanoic acid methyl ester
Formula: C19H38O2
Molar mass: 298.508 Da
Monoisotopic mass: 298.287 Da
SMILES: CCCCCCCC(C)CCCCCCCCC(=O)OC
InChI Key: DRJCIKFLPGIEQC-UHFFFAOYSA-N
InChI: 1S/C19H38O2/c1-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21-3/h18H,4-17H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 17.258
- ECL on Wax: 17.284
- ECL on 5% phenyl: 17.411
- KI on Wax: 2348
- KI on 5% phenyl: 2068
Name: 10-methylheptadecanoic acid
Formula: C18H36O2
Molar mass: 284.481 Da
SMILES: CCCCCCCC(C)CCCCCCCCC(O)=O
InChI Key: OQCDKBAXFALNLD-UHFFFAOYSA-N
InChI: 1S/C18H36O2/c1-3-4-5-8-11-14-17(2)15-12-9-6-7-10-13-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
Lipid Maps code: LMFA01020013
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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. |