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SAB-858 / Bra-16:0 (3Me) / 3-Methylpentadecanoic acid ME |
Names: Methyl 3-methylpentadecanoate; 3-Methylpentadecanoic acid methyl ester
Formula: C17H34O2
Molar mass: 270.454 Da
Monoisotopic mass: 270.256 Da
SMILES: CCCCCCCCCCCCC(C)CC(=O)OC
InChI Key: SQBBBZZOPNKZOQ-UHFFFAOYSA-N
InChI: 1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-16(2)15-17(18)19-3/h16H,4-15H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 15.016
- ECL on Wax: 15.098
- ECL on 5% phenyl: 15.371
- KI on Wax: 2125
- KI on 5% phenyl: 1863
Name: 3-Methylpentadecanoic acid
Formula: C16H32O2
Molar mass: 256.428 Da
SMILES: CCCCCCCCCCCCC(C)CC(O)=O
InChI Key: RCLBZEBFPBWRIH-UHFFFAOYSA-N
InChI: 1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
Lipid Maps code: LMFA01020164
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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. |