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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

Non-derivatized:

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



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.