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SAB-075 / ai-18:0 / 15-Methylheptadecanoic acid ME |
Names: Methyl 15-methylheptadecanoate; 15-methylheptadecanoic acid methyl ester
Formula: C19H38O2
Molar mass: 298.508 Da
Monoisotopic mass: 298.287 Da
SMILES: CCC(C)CCCCCCCCCCCCCC(=O)OC
InChI Key: NMNGCYQFGHXXPY-UHFFFAOYSA-N
InChI: 1S/C19H38O2/c1-4-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-19(20)21-3/h18H,4-17H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 17.712
- ECL on Wax: 17.677
- KI on Wax: 2388
Name: 15-methylheptadecanoic acid
Formula: C18H36O2
Molar mass: 284.481 Da
SMILES: CCC(C)CCCCCCCCCCCCCC(O)=O
InChI Key: MAFSBQRWNXDTRK-UHFFFAOYSA-N
InChI: 1S/C18H36O2/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
Lipid Maps code: LMFA01020205
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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. |