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SOH-222 / 12:0-2OH / 2-Hydroxydodecanoic acid ME

Names: Methyl 2-hydroxydodecanoate;  2-Hydroxydodecanoic acid methyl ester;  2-hydroxydodecanoic acid methyl ester;  2-Hydroxylauric acid methyl ester

Formula: C13H26O3

Molar mass: 230.347 Da

Monoisotopic mass: 230.188 Da

SMILES: CCCCCCCCCCC(O)C(=O)OC

InChI Key: NHEBEMJQYBPWNA-UHFFFAOYSA-N

InChI: 1S/C13H26O3/c1-3-4-5-6-7-8-9-10-11-12(14)13(15)16-2/h12,14H,3-11H2,1-2H3

Typical retention indexes:
- ECL on BPX70: 16.135
- ECL on BP20: 15.924
- ECL on DB225: 14.721

Non-derivatized:

Names: 2-Hydroxydodecanoic acid;  2-Hydroxydodecanoic acid;  2-Hydroxylauric acid

Formula: C12H24O3

Molar mass: 216.320 Da

SMILES: CCCCCCCCCCC(O)C(O)=O

InChI Key: YDZIJQXINJLRLL-UHFFFAOYSA-N

InChI: 1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15)

ChEBI code: CHEBI:36211

Lipid Maps code: LMFA01050036



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.