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SAB-840 / ai-13:0 / 10-Methyldodecanoic acid ME |
Names: Methyl 10-methyldodecanoate; 10-Methyldodecanoic acid methyl ester; Methyl 10-methyllaurate; 10-methyllauric acid methyl ester
Formula: C14H28O2
Molar mass: 228.374 Da
Monoisotopic mass: 228.209 Da
SMILES: CCC(C)CCCCCCCCC(=O)OC
InChI Key: TXYNTTGOJGLDCB-UHFFFAOYSA-N
InChI: 1S/C14H28O2/c1-4-13(2)11-9-7-5-6-8-10-12-14(15)16-3/h13H,4-12H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 12.691
- ECL on Wax: 12.632
- ECL on 5% phenyl: 12.689
- KI on Wax: 1876
- KI on 5% phenyl: 1595
Names: 10-Methyldodecanoic acid; 10-Methyllauric acid
Formula: C13H26O2
Molar mass: 214.347 Da
SMILES: CCC(C)CCCCCCCCC(O)=O
InChI Key: YETWOCQNUTWSQA-UHFFFAOYSA-N
InChI: 1S/C13H26O2/c1-3-12(2)10-8-6-4-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
Lipid Maps code: LMFA01020005
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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. |